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canSAR1125997
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NAMES
    SMILES
    Cc1ccc(C(=O)N[C@@H]2C(=O)N[C@H](C(C)C)C(=O)N3CCC[C@H]3C(=O)N(C)CC(=O)N(C)[C@@H](C(C)C)C(=O)O[C@@H]2C)c2c1Oc1c(c(C(=O)N[C@H]3C(=O)N[C@H](C(C)C)C(=O)N4CCC[C@H]4C(=O)N(C)CC(=O)N(C)[C@@H](C(C)C)C(=O)O[C@H]3C)c3nc(-c4ccc(Cl)cc4Cl)c(=O)oc3c1C)N2
    InChI
    InChI=1S/C70H88Cl2N12O17/c1-30(2)47-66(93)83-25-17-19-42(83)64(91)79(13)28-44(85)81(15)55(32(5)6)69(96)98-36(11)49(62(89)75-47)77-60(87)40-23-21-34(9)57-51(40)73-53-46(54-59(35(10)58(53)100-57)101-68(95)52(74-54)39-24-22-38(71)27-41(39)72)61(88)78-50-37(12)99-70(97)56(33(7)8)82(16)45(86)29-80(14)65(92)43-20-18-26-84(43)67(94)48(31(3)4)76-63(50)90/h21-24,27,30-33,36-37,42-43,47-50,55-56,73H,17-20,25-26,28-29H2,1-16H3,(H,75,89)(H,76,90)(H,77,87)(H,78,88)/t36-,37+,42+,43+,47-,48-,49+,50-,55+,56+/m1/s1
    MOLECULAR FORMULA
    C70H88Cl2N12O17
    CROSS REFERENCES
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    canSAR1125997

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 1438.58
    AlogP 4.86
    HBond donors 5
    HBond acceptors 29
    Atoms 189
    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 canSAR1125997.