canSAR1583021
FEATURES
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NAMES
    SMILES
    COCCNC(=O)c1cc2c(c(-c3cccc(C#Cc4ccc(OC)c(OC)c4)c3)n1)[C@@H](CCO)N(S(=O)C(C)(C)C)C2
    InChI
    InChI=1S/C33H39N3O6S/c1-33(2,3)43(39)36-21-25-20-26(32(38)34-15-17-40-4)35-31(30(25)27(36)14-16-37)24-9-7-8-22(18-24)10-11-23-12-13-28(41-5)29(19-23)42-6/h7-9,12-13,18-20,27,37H,14-17,21H2,1-6H3,(H,34,38)/t27-,43?/m1/s1
    MOLECULAR FORMULA
    C33H39N3O6S
    CROSS REFERENCES
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    canSAR1583021
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight605.26
    AlogP4.24
    HBond donors2
    HBond acceptors9
    Atoms82
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1583021.