canSAR2095734
FEATURES
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NAMES
    SMILES
    Cc1cn(CC(=O)N(CCNC(=O)CN(CCNC(=O)CN(CCNC(=O)CN(CCNC(=O)C(N)CCCCN)C(=O)Cc2ccc(N)nc2)C(=O)Cn2cc(C)c(=O)[nH]c2=O)C(=O)Cc2ccc(N)nc2)CC(=O)NCCN(CC(=O)NCCN(CC(=O)NCCN(CC(=O)NCCN(CC(=O)NCCN(CC(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)NC(CCCCN)C(N)=O)C(=O)Cc2ccc(N)nc2)C(=O)Cc2ccc(N)nc2)C(=O)Cn2cc(C)c(=O)[nH]c2=O)C(=O)Cn2cc(C)c(=O)[nH]c2=O)C(=O)Cc2ccc(N)nc2)c(=O)[nH]c1=O
    InChI
    InChI=1S/C123H177N45O30/c1-76-59-165(120(195)152-113(76)188)72-108(183)161(44-35-139-95(170)64-157(104(179)50-81-18-23-90(130)145-55-81)42-33-138-99(174)68-162(109(184)73-166-60-77(2)114(189)153-121(166)196)46-37-141-97(172)66-159(106(181)52-83-20-25-92(132)147-57-83)48-39-143-117(192)85(128)13-5-9-27-124)67-98(173)137-32-41-158(105(180)51-82-19-24-91(131)146-56-82)65-96(171)140-36-45-163(110(185)74-167-61-78(3)115(190)154-122(167)197)70-101(176)142-38-47-164(111(186)75-168-62-79(4)116(191)155-123(168)198)69-100(175)136-31-40-156(103(178)49-80-17-22-89(129)144-54-80)63-94(169)135-34-43-160(107(182)53-84-21-26-93(133)148-58-84)71-102(177)149-87(15-7-11-29-126)118(193)151-88(16-8-12-30-127)119(194)150-86(112(134)187)14-6-10-28-125/h17-26,54-62,85-88H,5-16,27-53,63-75,124-128H2,1-4H3,(H2,129,144)(H2,130,145)(H2,131,146)(H2,132,147)(H2,133,148)(H2,134,187)(H,135,169)(H,136,175)(H,137,173)(H,138,174)(H,139,170)(H,140,171)(H,141,172)(H,142,176)(H,143,192)(H,149,177)(H,150,194)(H,151,193)(H,152,188,195)(H,153,189,196)(H,154,190,197)(H,155,191,198)/t85-,86-,87?,88-/m0/s1
    MOLECULAR FORMULA
    C123H177N45O30
    CROSS REFERENCES
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    canSAR2095734
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight2764.37
    AlogP-15.19
    HBond donors38
    HBond acceptors75
    Atoms375
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2095734.