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canSAR1522458
FEATURES
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NAMES
    SMILES
    CC1(CNc2nc(-c3cc(N[C@H]4CC[C@H](NC5CCS(=O)(=O)CC5)CC4)ncc3Cl)ccc2F)CCOCC1
    InChI
    InChI=1S/C28H39ClFN5O3S/c1-28(10-12-38-13-11-28)18-32-27-24(30)6-7-25(35-27)22-16-26(31-17-23(22)29)34-20-4-2-19(3-5-20)33-21-8-14-39(36,37)15-9-21/h6-7,16-17,19-21,33H,2-5,8-15,18H2,1H3,(H,31,34)(H,32,35)/t19-,20-
    MOLECULAR FORMULA
    C28H39ClFN5O3S
    CROSS REFERENCES
    1522458 logo

    canSAR1522458

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 579.24
    AlogP 5.05
    HBond donors 3
    HBond acceptors 8
    Atoms 78
    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 canSAR1522458.