canSAR821003
FEATURES
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NAMES
    SMILES
    C=C[C@]1(C)C[C@@H](OC(=O)CSC2CCN(C(=O)CCn3cnc4c(N5CCC(CN)C5)ncnc43)CC2)[C@@]2(C)[C@H]3C(=O)CC[C@@]3(CC[C@H]2C)[C@@H](C)[C@@H]1O
    InChI
    InChI=1S/C40H59N7O5S/c1-6-38(4)19-30(39(5)25(2)7-13-40(26(3)35(38)51)14-8-29(48)34(39)40)52-32(50)22-53-28-10-16-45(17-11-28)31(49)12-18-47-24-44-33-36(42-23-43-37(33)47)46-15-9-27(20-41)21-46/h6,23-28,30,34-35,51H,1,7-22,41H2,2-5H3/t25-,26+,27?,30-,34-,35+,38-,39+,40+/m1/s1
    MOLECULAR FORMULA
    C40H59N7O5S
    CROSS REFERENCES
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    canSAR821003
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight749.43
    AlogP4.63
    HBond donors3
    HBond acceptors12
    Atoms112
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR821003.