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canSAR1126549
FEATURES
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NAMES
    SMILES
    NCCCN(CCCN)CCCNC(=O)[C@H]1NC(=O)[C@H]2NC(=O)[C@H](NC(=O)[C@@H]3NC(=O)[C@H]4NC(=O)[C@@H](Cc5ccc(c(Cl)c5)Oc5cc3cc(c5O)Oc3ccc(cc3Cl)[C@H]2O)NC(=O)[C@H](N)c2ccc(O)c(c2)Oc2cc(O)cc4c2)c2ccc(O)c(c2)-c2c(O)cc(O)cc21
    InChI
    InChI=1S/C67H67Cl2N11O17/c68-41-18-30-4-10-47(41)96-50-25-35-26-51(60(50)87)97-48-11-7-33(23-42(48)69)59(86)58-67(94)78-57(63(90)73-14-3-17-80(15-1-12-70)16-2-13-71)40-28-37(82)29-46(85)52(40)39-22-32(6-8-44(39)83)54(64(91)79-58)76-66(93)56(35)77-65(92)55-34-20-36(81)27-38(21-34)95-49-24-31(5-9-45(49)84)53(72)62(89)74-43(19-30)61(88)75-55/h4-11,18,20-29,43,53-59,81-87H,1-3,12-17,19,70-72H2,(H,73,90)(H,74,89)(H,75,88)(H,76,93)(H,77,92)(H,78,94)(H,79,91)/t43-,53-,54-,55+,56-,57+,58+,59-/m1/s1
    MOLECULAR FORMULA
    C67H67Cl2N11O17
    CROSS REFERENCES
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    canSAR1126549

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 1367.41
    AlogP 4.41
    HBond donors 20
    HBond acceptors 28
    Atoms 164
    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 canSAR1126549.