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canSAR2053139
FEATURES
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NAMES
    SMILES
    CCCCC(NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(N)=O)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)CC)[C@@H](C)CC)[C@@H](C)O
    InChI
    InChI=1S/C151H232N42O48/c1-18-22-39-88(173-130(221)91(44-46-113(204)205)174-138(229)102(60-115(208)209)185-145(236)106(68-195)188-134(225)95(52-80-34-25-23-26-35-80)179-144(235)105(67-194)170-112(203)66-165-127(218)101(59-114(206)207)169-111(202)65-164-126(217)85(153)55-83-64-161-69-166-83)128(219)181-100(58-110(157)201)143(234)193-122(79(17)197)150(241)191-120(75(13)21-4)148(239)186-93(50-71(7)8)133(224)184-104(62-117(212)213)140(231)182-98(56-108(155)199)136(227)176-92(49-70(5)6)132(223)168-76(14)124(215)167-77(15)125(216)172-89(42-33-48-162-151(159)160)129(220)183-103(61-116(210)211)139(230)178-96(53-81-36-27-24-28-37-81)142(233)190-119(74(12)20-3)147(238)187-99(57-109(156)200)137(228)180-97(54-82-63-163-86-40-30-29-38-84(82)86)135(226)177-94(51-72(9)10)141(232)189-118(73(11)19-2)146(237)175-90(43-45-107(154)198)131(222)192-121(78(16)196)149(240)171-87(123(158)214)41-31-32-47-152/h23-30,34-38,40,63-64,69-79,85,87-106,118-122,163,194-197H,18-22,31-33,39,41-62,65-68,152-153H2,1-17H3,(H2,154,198)(H2,155,199)(H2,156,200)(H2,157,201)(H2,158,214)(H,161,166)(H,164,217)(H,165,218)(H,167,215)(H,168,223)(H,169,202)(H,170,203)(H,171,240)(H,172,216)(H,173,221)(H,174,229)(H,175,237)(H,176,227)(H,177,226)(H,178,230)(H,179,235)(H,180,228)(H,181,219)(H,182,231)(H,183,220)(H,184,224)(H,185,236)(H,186,239)(H,187,238)(H,188,225)(H,189,232)(H,190,233)(H,191,241)(H,192,222)(H,193,234)(H,204,205)(H,206,207)(H,208,209)(H,210,211)(H,212,213)(H4,159,160,162)/t73-,74-,75-,76-,77-,78+,79+,85-,87-,88?,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103+,104-,105-,106-,118-,119-,120-,121-,122-/m0/s1
    MOLECULAR FORMULA
    C151H232N42O48
    CROSS REFERENCES
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    canSAR2053139

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 3401.70
    AlogP -15.40
    HBond donors 58
    HBond acceptors 90
    Atoms 473
    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 canSAR2053139.