canSAR2170390
FEATURES
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NAMES
    SMILES
    C[C@H](N=C(O)Nc1cc2[nH]nc(C(=O)NCC34CC5CC(C3)C(O)C(C5)C4)c2cn1)c1ccccc1
    InChI
    InChI=1S/C27H32N6O3/c1-15(17-5-3-2-4-6-17)30-26(36)31-22-9-21-20(13-28-22)23(33-32-21)25(35)29-14-27-10-16-7-18(11-27)24(34)19(8-16)12-27/h2-6,9,13,15-16,18-19,24,34H,7-8,10-12,14H2,1H3,(H,29,35)(H,32,33)(H2,28,30,31,36)/t15-,16?,18?,19?,24?,27?/m0/s1
    MOLECULAR FORMULA
    C27H32N6O3
    CROSS REFERENCES
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    canSAR2170390
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight488.25
    AlogP3.96
    HBond donors5
    HBond acceptors9
    Atoms68
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2170390.