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canSAR779936
FEATURES
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NAMES
    SMILES
    C/C=C1\NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](C(C)C)NC(=O)[C@@H]([C@H](C)CC)NC(=O)[C@H](NC(=O)[C@H](NC(=O)[C@H](CCCN)NC(=O)[C@H]2CCCN2C(=O)[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](NC(=O)CCCC(C)C)C(C)C)[C@@H](C)O)C(C)C)[C@H](C)CC)[C@H](C)OC(=O)[C@H](C(C)C)NC1=O
    InChI
    InChI=1S/C73H120N14O16/c1-19-42(14)57(69(98)86-60-46(18)103-73(102)56(41(12)13)82-62(91)48(21-3)76-64(93)50(36-47-29-23-22-24-30-47)78-66(95)54(39(8)9)80-68(97)58(43(15)20-2)84-71(60)100)83-63(92)49(31-26-34-74)77-65(94)51-32-27-35-87(51)72(101)55(40(10)11)81-61(90)44(16)75-70(99)59(45(17)88)85-67(96)53(38(6)7)79-52(89)33-25-28-37(4)5/h21-24,29-30,37-46,49-51,53-60,88H,19-20,25-28,31-36,74H2,1-18H3,(H,75,99)(H,76,93)(H,77,94)(H,78,95)(H,79,89)(H,80,97)(H,81,90)(H,82,91)(H,83,92)(H,84,100)(H,85,96)(H,86,98)/b48-21-/t42-,43-,44+,45-,46+,49+,50+,51-,53-,54-,55-,56+,57-,58-,59+,60-/m1/s1
    MOLECULAR FORMULA
    C73H120N14O16
    CROSS REFERENCES
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    canSAR779936

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 1448.90
    AlogP 1.20
    HBond donors 15
    HBond acceptors 30
    Atoms 223
    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 canSAR779936.