canSAR386770
FEATURES
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NAMES
    SMILES
    CCCCCCCOc1ccc(CN[C@@]2(C)C[C@H](O[C@@H]3c4ccc(c(Cl)c4)Oc4cc5cc(c4O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)Oc4ccc(cc4Cl)[C@@H](O)[C@@H](NC(=O)[C@@H](CC(C)C)NC)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H]5C(=O)NC4C(=O)NC3C(=O)N[C@@H](C(=O)O)c3cc(O)cc(O)c3-c3cc4ccc3O)O[C@@H](C)[C@@H]2O)cc1
    InChI
    InChI=1S/C80H95Cl2N9O25/c1-7-8-9-10-11-22-110-43-17-12-37(13-18-43)33-85-80(5)32-58(111-36(4)71(80)101)115-69-40-16-21-53(47(82)26-40)113-55-28-41-27-54(70(55)116-79-68(100)67(99)66(98)56(34-92)114-79)112-52-20-15-39(25-46(52)81)65(97)63(90-72(102)48(84-6)23-35(2)3)76(106)86-49(31-57(83)96)73(103)87-61(41)75(105)88-60-38-14-19-50(94)44(24-38)59-45(29-42(93)30-51(59)95)62(78(108)109)89-77(107)64(69)91-74(60)104/h12-21,24-30,35-36,48-49,56,58,60-69,71,79,84-85,92-95,97-101H,7-11,22-23,31-34H2,1-6H3,(H2,83,96)(H,86,106)(H,87,103)(H,88,105)(H,89,107)(H,90,102)(H,91,104)(H,108,109)/t36-,48+,49-,56+,58-,60?,61+,62+,63+,64?,65+,66+,67-,68+,69+,71-,79-,80-/m0/s1
    MOLECULAR FORMULA
    C80H95Cl2N9O25
    CROSS REFERENCES
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    canSAR386770
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight1651.58
    AlogP4.29
    HBond donors20
    HBond acceptors34
    Atoms211
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR386770.