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canSAR1123383
FEATURES
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NAMES
    SMILES
    Cc1cn(CC(=O)N(CCNC(=O)CN(CCNC(=O)CN(CCNC(=O)CN(CCNC(=O)CN(CCNC(=O)CN(CCN)C(=O)Cn2ccc(N)nc2=O)C(=O)Cn2cnc3c(N)ncnc32)C(=O)Cn2cc(C)c(=O)[nH]c2=O)C(=O)Cn2cc(C)c(=O)[nH]c2=O)C(=O)Cn2cnc3c(=O)[nH]c(N)nc32)CC(=O)NCCN(CC(=O)NCCN(CC(=O)NCCN(CC(=O)NCCN(CC(=O)NCCN(CC(=O)NCCN(CC(=O)N[C@@H](CCCCN)C(N)=O)C(=O)Cn2cc(C)c(=O)[nH]c2=O)C(=O)Cn2ccc(N)nc2=O)C(=O)Cn2cnc3c(N)ncnc32)C(=O)Cn2ccc(N)nc2=O)C(=O)Cn2cnc3c(N)ncnc32)C(=O)Cn2ccc(N)nc2=O)c(=O)[nH]c1=O
    InChI
    InChI=1S/C134H175N67O38/c1-76-41-194(131(236)174-121(76)227)61-101(218)182(33-17-150-90(207)50-184(103(220)63-196-43-78(3)123(229)176-133(196)238)34-18-151-94(211)54-185(105(222)65-198-72-163-109-113(141)157-69-160-117(109)198)36-20-146-85(202)45-178(29-13-136)97(214)57-190-25-8-81(137)168-127(190)232)51-91(208)155-23-39-188(108(225)68-201-75-166-112-120(201)172-126(145)173-125(112)231)55-95(212)152-19-35-183(102(219)62-195-42-77(2)122(228)175-132(195)237)49-89(206)147-14-30-179(98(215)58-191-26-9-82(138)169-128(191)233)46-86(203)153-21-37-186(106(223)66-199-73-164-110-114(142)158-70-161-118(110)199)52-92(209)148-15-31-180(99(216)59-192-27-10-83(139)170-129(192)234)47-87(204)154-22-38-187(107(224)67-200-74-165-111-115(143)159-71-162-119(111)200)53-93(210)149-16-32-181(100(217)60-193-28-11-84(140)171-130(193)235)48-88(205)156-24-40-189(56-96(213)167-80(116(144)226)7-5-6-12-135)104(221)64-197-44-79(4)124(230)177-134(197)239/h8-11,25-28,41-44,69-75,80H,5-7,12-24,29-40,45-68,135-136H2,1-4H3,(H2,144,226)(H,146,202)(H,147,206)(H,148,209)(H,149,210)(H,150,207)(H,151,211)(H,152,212)(H,153,203)(H,154,204)(H,155,208)(H,156,205)(H,167,213)(H2,137,168,232)(H2,138,169,233)(H2,139,170,234)(H2,140,171,235)(H2,141,157,160)(H2,142,158,161)(H2,143,159,162)(H,174,227,236)(H,175,228,237)(H,176,229,238)(H,177,230,239)(H3,145,172,173,231)/t80-/m0/s1
    MOLECULAR FORMULA
    C134H175N67O38
    CROSS REFERENCES
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    canSAR1123383

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 3330.38
    AlogP -25.96
    HBond donors 39
    HBond acceptors 105
    Atoms 414
    Contains toxicophore No
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1123383.