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canSAR829259
FEATURES
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NAMES
    SMILES
    CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)CCCNC(=N)N)[C@@H](C)CC)[C@@H](C)CC)C(=O)O
    InChI
    InChI=1S/C69H101N19O10/c1-7-38(4)56(65(95)82-51(27-16-17-29-70)61(91)86-57(39(5)8-2)66(96)88-58(67(97)98)40(6)9-3)87-64(94)55(34-43-37-80-50-26-15-12-22-46(43)50)85-63(93)54(33-42-36-79-49-25-14-11-21-45(42)49)84-60(90)52(28-19-31-77-69(74)75)81-62(92)53(32-41-35-78-48-24-13-10-20-44(41)48)83-59(89)47(71)23-18-30-76-68(72)73/h10-15,20-22,24-26,35-40,47,51-58,78-80H,7-9,16-19,23,27-34,70-71H2,1-6H3,(H,81,92)(H,82,95)(H,83,89)(H,84,90)(H,85,93)(H,86,91)(H,87,94)(H,88,96)(H,97,98)(H4,72,73,76)(H4,74,75,77)/t38-,39-,40-,47-,51-,52-,53-,54-,55-,56-,57-,58-/m0/s1
    MOLECULAR FORMULA
    C69H101N19O10
    CROSS REFERENCES
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    canSAR829259

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 1355.80
    AlogP 2.24
    HBond donors 24
    HBond acceptors 29
    Atoms 199
    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 canSAR829259.