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canSAR1015167
FEATURES
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NAMES
    SMILES
    CCOC(=O)c1cn(CC)c2ccc(CCCN3CCN(CCC(=O)O[C@H]4[C@H](C)O[C@@H](O[C@H]5[C@H](C)[C@@H](O[C@@H]6O[C@H](C)C[C@H](N(C)C)[C@H]6O)[C@](C)(OC)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@](C)(O)[C@@H](CC)OC(=O)[C@@H]5C)C[C@@]4(C)OC)CC3)cc2c1=O
    InChI
    InChI=1S/C62H100N4O17/c1-17-47-62(12,74)54(71)38(6)50(68)36(4)33-60(10,75-15)55(83-59-52(70)46(63(13)14)31-37(5)78-59)39(7)53(40(8)57(72)80-47)82-49-34-61(11,76-16)56(41(9)79-49)81-48(67)24-26-65-29-27-64(28-30-65)25-20-21-42-22-23-45-43(32-42)51(69)44(35-66(45)18-2)58(73)77-19-3/h22-23,32,35-41,46-47,49,52-56,59,70-71,74H,17-21,24-31,33-34H2,1-16H3/t36-,37-,38+,39+,40-,41+,46+,47-,49+,52-,53+,54-,55-,56+,59+,60-,61-,62-/m1/s1
    MOLECULAR FORMULA
    C62H100N4O17
    CROSS REFERENCES
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    canSAR1015167

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 1172.71
    AlogP 5.14
    HBond donors 3
    HBond acceptors 21
    Atoms 183
    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 canSAR1015167.