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canSAR987996
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NAMES
    SMILES
    CC(=O)Nc1cn(C)c(C(=O)Nc2cc(C(=O)Nc3cc(C(=O)NCCC(=O)Nc4cc(C(=O)NCCCC(=O)Nc5cc(C(=O)NCCC(=O)Nc6cn(C)c(C(=O)Nc7ccc8[nH]c(C(=O)N9CC(CCl)c%10c9cc(O)c9ccccc%109)cc8c7)n6)n(C)c5)n(C)c4)n(C)c3)n(C)c2)n1
    InChI
    InChI=1S/C68H71ClN20O12/c1-36(90)73-54-34-87(6)61(81-54)67(100)78-43-26-52(86(5)33-43)65(98)77-42-25-51(85(4)32-42)64(97)71-19-16-57(93)75-41-24-49(83(2)31-41)62(95)70-18-10-13-56(92)74-40-23-50(84(3)30-40)63(96)72-20-17-58(94)80-55-35-88(7)60(82-55)66(99)76-39-14-15-46-37(21-39)22-47(79-46)68(101)89-29-38(28-69)59-45-12-9-8-11-44(45)53(91)27-48(59)89/h8-9,11-12,14-15,21-27,30-35,38,79,91H,10,13,16-20,28-29H2,1-7H3,(H,70,95)(H,71,97)(H,72,96)(H,73,90)(H,74,92)(H,75,93)(H,76,99)(H,77,98)(H,78,100)(H,80,94)
    MOLECULAR FORMULA
    C68H71ClN20O12
    CROSS REFERENCES
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    canSAR987996

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 1394.52
    AlogP 6.21
    HBond donors 12
    HBond acceptors 32
    Atoms 172
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR987996.