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canSAR2016682
FEATURES
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NAMES
    SMILES
    Cl.Clc1ccc2[nH]c3c(c2c1)CN(CCCc1cccnc1)CC3
    InChI
    InChI=1S/C19H20ClN3.ClH/c20-15-5-6-18-16(11-15)17-13-23(10-7-19(17)22-18)9-2-4-14-3-1-8-21-12-14;/h1,3,5-6,8,11-12,22H,2,4,7,9-10,13H2;1H
    MOLECULAR FORMULA
    C19H21Cl2N3
    CROSS REFERENCES
    2016682 logo

    canSAR2016682

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 361.11
    AlogP 4.63
    HBond donors 1
    HBond acceptors 3
    Atoms 45
    Contains toxicophore No
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2016682.