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canSAR564478
FEATURES
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NAMES
    SMILES
    CCCCCCCCCCCNC(=O)N[C@@H](C(=O)O)C1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](NC(=O)[C@H](N)CC(C)C)Cc2ccc(c([N+](=O)[O-])c2)Oc2cc1cc(OC1OC(O)C(O)C(O)C1NC(=O)CCCCCCCCCCC)c2OC.Cl
    InChI
    InChI=1S/C63H94N8O16.ClH/c1-6-8-10-12-14-16-18-20-25-29-50(72)68-53-54(73)55(74)61(80)87-62(53)86-49-38-42-37-48(56(49)84-5)85-47-31-30-41(36-46(47)71(82)83)35-45(66-57(75)43(64)33-39(3)4)58(76)67-44(34-40-27-23-22-24-28-40)59(77)69-51(42)52(60(78)79)70-63(81)65-32-26-21-19-17-15-13-11-9-7-2;/h22-24,27-28,30-31,36-39,43-45,51-55,61-62,73-74,80H,6-21,25-26,29,32-35,64H2,1-5H3,(H,66,75)(H,67,76)(H,68,72)(H,69,77)(H,78,79)(H2,65,70,81);1H/t43-,44+,45-,51?,52-,53?,54?,55?,61?,62?;/m1./s1
    MOLECULAR FORMULA
    C63H95ClN8O16
    CROSS REFERENCES
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    canSAR564478

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 1254.66
    AlogP 7.58
    HBond donors 12
    HBond acceptors 24
    Atoms 183
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR564478.