canSAR1087497
FEATURES
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NAMES
    SMILES
    CN[C@H](CC(C)C)C(=O)N[C@H]1C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H]2C(=O)N[C@H]3C(=O)N[C@H](C(=O)N[C@@H](C(=O)NC(=O)C(Cc4c[nH]cn4)NC(=O)C4CCCN4C(=O)C(N)Cc4c[nH]c5ccccc45)c4cc(O)cc(O)c4-c4cc3ccc4O)[C@H](O[C@H]3C[C@](C)(N)[C@@H](O)[C@H](C)O3)c3ccc(c(Cl)c3)Oc3cc2cc(c3OC2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)Oc2ccc(cc2Cl)[C@H]1O
    InChI
    InChI=1S/C88H100Cl2N16O26/c1-35(2)19-51(94-5)77(117)103-68-70(112)38-13-16-57(47(89)21-38)128-59-24-40-25-60(75(59)132-87-73(115)72(114)71(113)61(33-107)130-87)129-58-17-14-39(22-48(58)90)74(131-63-30-88(4,93)76(116)36(3)127-63)69-85(125)102-67(83(123)105-79(119)52(26-42-32-95-34-97-42)98-80(120)54-11-8-18-106(54)86(126)49(91)23-41-31-96-50-10-7-6-9-44(41)50)46-27-43(108)28-56(110)64(46)45-20-37(12-15-55(45)109)65(81(121)104-69)101-82(122)66(40)100-78(118)53(29-62(92)111)99-84(68)124/h6-7,9-10,12-17,20-22,24-25,27-28,31-32,34-36,49,51-54,61,63,65-74,76,87,94,96,107-110,112-116H,8,11,18-19,23,26,29-30,33,91,93H2,1-5H3,(H2,92,111)(H,95,97)(H,98,120)(H,99,124)(H,100,118)(H,101,122)(H,102,125)(H,103,117)(H,104,121)(H,105,119,123)/t36-,49?,51+,52?,53-,54?,61+,63-,65+,66+,67+,68+,69-,70+,71+,72-,73+,74+,76-,87?,88-/m0/s1
    MOLECULAR FORMULA
    C88H100Cl2N16O26
    CROSS REFERENCES
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    canSAR1087497
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight1866.64
    AlogP0.16
    HBond donors26
    HBond acceptors42
    Atoms232
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1087497.