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canSAR1992087
FEATURES
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NAMES
    SMILES
    Cc1ccc(N(CCCN2CCC(Cc3ccc(C(N)=O)cc3)CC2)C(=O)C2CCN(C(=O)COCC(=O)NCCCCCCCCCCNC(=O)COCC(=O)N[C@H]3CC[C@@]4(O)[C@H]5Cc6ccc(O)c7c6[C@@]4(CCN5C)[C@H]3O7)CC2)cc1Cl
    InChI
    InChI=1S/C64H89ClN8O11/c1-43-12-18-49(38-50(43)65)73(30-11-29-71-31-21-45(22-32-71)36-44-13-15-46(16-14-44)61(66)79)62(80)47-23-33-72(34-24-47)57(78)42-83-40-55(76)68-28-10-8-6-4-3-5-7-9-27-67-54(75)39-82-41-56(77)69-51-20-25-64(81)53-37-48-17-19-52(74)59-58(48)63(64,60(51)84-59)26-35-70(53)2/h12-19,38,45,47,51,53,60,74,81H,3-11,20-37,39-42H2,1-2H3,(H2,66,79)(H,67,75)(H,68,76)(H,69,77)/t51-,53+,60-,63-,64+/m0/s1
    MOLECULAR FORMULA
    C64H89ClN8O11
    CROSS REFERENCES
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    canSAR1992087

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 1180.63
    AlogP 5.72
    HBond donors 7
    HBond acceptors 19
    Atoms 173
    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 canSAR1992087.