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canSAR464166
FEATURES
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NAMES
    SMILES
    CC(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N[C@H](Cc1cccnc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(NC(=O)c2n[nH]c(N)n2)cc1)C(=O)N[C@H](Cc1ccc(NC(=O)c2n[nH]c(N)n2)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCNC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)N
    InChI
    InChI=1S/C81H102ClN23O13/c1-44(2)35-59(69(108)92-58(16-9-10-33-87-45(3)4)79(118)105-34-12-17-66(105)76(115)88-46(5)83)93-71(110)62(38-49-21-28-56(29-22-49)90-77(116)67-99-80(84)103-101-67)95-73(112)63(39-50-23-30-57(31-24-50)91-78(117)68-100-81(85)104-102-68)97-75(114)65(43-106)98-74(113)64(41-52-13-11-32-86-42-52)96-72(111)61(37-48-19-26-55(82)27-20-48)94-70(109)60(89-47(6)107)40-51-18-25-53-14-7-8-15-54(53)36-51/h7-8,11,13-15,18-32,36,42,44-46,58-66,87,106H,9-10,12,16-17,33-35,37-41,43,83H2,1-6H3,(H,88,115)(H,89,107)(H,90,116)(H,91,117)(H,92,108)(H,93,110)(H,94,109)(H,95,112)(H,96,111)(H,97,114)(H,98,113)(H3,84,99,101,103)(H3,85,100,102,104)/t46-,58+,59+,60-,61-,62-,63+,64-,65+,66+/m1/s1
    MOLECULAR FORMULA
    C81H102ClN23O13
    CROSS REFERENCES
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    canSAR464166

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 1639.77
    AlogP 1.82
    HBond donors 21
    HBond acceptors 36
    Atoms 220
    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 canSAR464166.