canSAR824124
FEATURES
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NAMES
    SMILES
    C[C@@H](O)[C@H](NC(=O)[C@H]1CSSC[C@H](NC(=O)[C@@H](Cc2ccccc2)NC(=O)CN2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCNC(=O)OC(C)(C)C)C(=O)N[C@H]([C@@H](C)O)C(=O)N1)C(=O)O
    InChI
    InChI=1S/C70H98N14O20S2/c1-42(85)59-67(100)78-54(66(99)80-60(43(2)86)68(101)102)41-106-105-40-53(77-62(95)50(32-44-16-8-6-9-17-44)73-55(87)36-81-24-26-82(37-56(88)89)28-30-84(39-58(92)93)31-29-83(27-25-81)38-57(90)91)65(98)75-51(33-45-18-10-7-11-19-45)63(96)76-52(34-46-35-72-48-21-13-12-20-47(46)48)64(97)74-49(61(94)79-59)22-14-15-23-71-69(103)104-70(3,4)5/h6-13,16-21,35,42-43,49-54,59-60,72,85-86H,14-15,22-34,36-41H2,1-5H3,(H,71,103)(H,73,87)(H,74,97)(H,75,98)(H,76,96)(H,77,95)(H,78,100)(H,79,94)(H,80,99)(H,88,89)(H,90,91)(H,92,93)(H,101,102)/t42-,43-,49+,50-,51+,52+,53+,54-,59-,60+/m1/s1
    MOLECULAR FORMULA
    C70H98N14O20S2
    CROSS REFERENCES
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    canSAR824124
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight1518.65
    AlogP-1.51
    HBond donors16
    HBond acceptors34
    Atoms204
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR824124.