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canSAR1205462
FEATURES
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NAMES
    SMILES
    Cc1cn([C@H]2C[C@H](OCOC[C@H]3O[C@@H](n4cnc5c(=O)[nH]c(=N)[nH]c54)C[C@@H]3OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(=O)nc(N)[nH]c54)C[C@@H]3O)[C@@H](COP(=O)(O)O[C@H]3C[C@H](n4cc(C)c(=O)[nH]c4=O)O[C@@H]3COP(=O)(O)O[C@H]3C[C@H](n4cnc5c(=O)[nH]c(=N)[nH]c54)O[C@@H]3COP(=O)(O)O[C@H]3C[C@H](n4cnc5c(=O)nc(N)[nH]c54)O[C@@H]3COCO[C@H]3C[C@H](n4cc(C)c(=O)[nH]c4=O)O[C@@H]3COP(=O)(O)O[C@H]3C[C@H](n4cnc5c(=O)[nH]c(=N)[nH]c54)O[C@@H]3COP(=O)(O)O[C@H]3C[C@H](n4cc(C)c(=O)[nH]c4=O)O[C@@H]3COP(=O)(O)O[C@H]3C[C@H](n4cnc5c(=O)[nH]c(=N)[nH]c54)O[C@@H]3COP(=O)(O)O[C@H]3C[C@H](n4cnc5c(=O)nc(N)[nH]c54)O[C@@H]3COP(=O)(O)O[C@H]3C[C@H](n4cc(C)c(=O)[nH]c4=O)O[C@@H]3COP(=O)(O)O[C@H]3C[C@H](n4cc(C)c(=O)[nH]c4=O)O[C@@H]3COP(=O)(O)O[C@H]3C[C@H](n4cnc5c(=O)nc(N)[nH]c54)O[C@@H]3COP(=O)(O)O[C@H]3C[C@H](n4cnc5c(=O)[nH]c(=N)[nH]c54)O[C@@H]3COP(=O)(O)O)O2)c(=O)[nH]c1=O
    InChI
    InChI=1S/C152H190N57O93P13/c1-54-22-195(147(226)189-123(54)211)91-8-61(261-52-259-28-76-63(14-97(277-76)202-44-163-106-115(202)172-139(154)181-130(106)218)291-304(235,236)264-30-75-60(210)7-90(276-75)201-43-162-105-114(201)171-138(153)180-129(105)217)78(279-91)32-265-305(237,238)293-65-10-93(197-24-56(3)125(213)191-149(197)228)281-81(65)35-268-312(251,252)299-71-18-101(206-48-167-110-119(206)176-143(158)185-134(110)222)286-85(71)38-271-307(241,242)292-64-15-98(203-45-164-107-116(203)173-140(155)182-131(107)219)278-77(64)29-260-53-262-62-9-92(196-23-55(2)124(212)190-148(196)227)280-79(62)33-266-306(239,240)298-70-17-100(205-47-166-109-118(205)175-142(157)184-133(109)221)287-86(70)39-272-309(245,246)296-68-13-96(200-27-59(6)128(216)194-152(200)231)284-84(68)37-270-314(255,256)301-73-20-103(208-50-169-112-121(208)178-145(160)187-136(112)224)290-89(73)42-275-315(257,258)302-74-21-104(209-51-170-113-122(209)179-146(161)188-137(113)225)288-87(74)40-273-310(247,248)295-67-12-95(199-26-58(5)127(215)193-151(199)230)282-82(67)34-267-308(243,244)294-66-11-94(198-25-57(4)126(214)192-150(198)229)283-83(66)36-269-313(253,254)300-72-19-102(207-49-168-111-120(207)177-144(159)186-135(111)223)289-88(72)41-274-311(249,250)297-69-16-99(285-80(69)31-263-303(232,233)234)204-46-165-108-117(204)174-141(156)183-132(108)220/h22-27,43-51,60-104,210H,7-21,28-42,52-53H2,1-6H3,(H,235,236)(H,237,238)(H,239,240)(H,241,242)(H,243,244)(H,245,246)(H,247,248)(H,249,250)(H,251,252)(H,253,254)(H,255,256)(H,257,258)(H,189,211,226)(H,190,212,227)(H,191,213,228)(H,192,214,229)(H,193,215,230)(H,194,216,231)(H2,232,233,234)(H3,153,171,180,217)(H3,154,172,181,218)(H3,155,173,182,219)(H3,156,174,183,220)(H3,157,175,184,221)(H3,158,176,185,222)(H3,159,177,186,223)(H3,160,178,187,224)(H3,161,179,188,225)/t60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75+,76+,77+,78+,79+,80+,81+,82+,83+,84+,85+,86+,87+,88+,89+,90+,91+,92+,93+,94+,95+,96+,97+,98+,99+,100+,101+,102+,103+,104+/m0/s1
    MOLECULAR FORMULA
    C152H190N57O93P13
    CROSS REFERENCES
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    canSAR1205462

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 4703.85
    AlogP -8.74
    HBond donors 48
    HBond acceptors 150
    Atoms 505
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1205462.