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canSAR468140
FEATURES
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NAMES
    SMILES
    CC(=O)NC1CC(=O)NC(C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NC(Cc2ccc3ccccc3c2)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N2CCC[C@@H]2C(=O)NC(C)C(N)=O)CCCNC(=O)[C@@H](Cc2ccc(Cl)cc2)NC1=O
    InChI
    InChI=1S/C65H86ClN15O14/c1-35(2)28-47(58(89)75-46(13-8-26-71-65(68)69)64(95)81-27-9-14-53(81)63(94)72-36(3)55(67)86)76-60(91)50(32-40-15-20-41-10-5-6-11-42(41)29-40)78-59(90)49(31-39-18-23-44(84)24-19-39)79-62(93)52(34-82)80-57(88)45-12-7-25-70-56(87)48(30-38-16-21-43(66)22-17-38)77-61(92)51(73-37(4)83)33-54(85)74-45/h5-6,10-11,15-24,29,35-36,45-53,82,84H,7-9,12-14,25-28,30-34H2,1-4H3,(H2,67,86)(H,70,87)(H,72,94)(H,73,83)(H,74,85)(H,75,89)(H,76,91)(H,77,92)(H,78,90)(H,79,93)(H,80,88)(H4,68,69,71)/t36?,45?,46-,47+,48+,49-,50?,51?,52-,53+/m0/s1
    MOLECULAR FORMULA
    C65H86ClN15O14
    CROSS REFERENCES
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    canSAR468140

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 1335.62
    AlogP -1.50
    HBond donors 18
    HBond acceptors 29
    Atoms 181
    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 canSAR468140.