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canSAR1636529
FEATURES
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NAMES
    SMILES
    Cl.N=C(N)Nc1ccc2[nH]c3c(c2c1)C[C@@]1(O)[C@H]2Cc4ccc(O)c5c4[C@@]1(CCN2CC1CC1)C3O5
    InChI
    InChI=1S/C27H29N5O3.ClH/c28-25(29)30-15-4-5-18-16(10-15)17-11-27(34)20-9-14-3-6-19(33)23-21(14)26(27,24(35-23)22(17)31-18)7-8-32(20)12-13-1-2-13;/h3-6,10,13,20,24,31,33-34H,1-2,7-9,11-12H2,(H4,28,29,30);1H/t20-,24?,26+,27-;/m1./s1
    MOLECULAR FORMULA
    C27H30ClN5O3
    CROSS REFERENCES
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    canSAR1636529

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 507.20
    AlogP 3.30
    HBond donors 7
    HBond acceptors 8
    Atoms 66
    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 canSAR1636529.