canSAR1705831
FEATURES
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NAMES
    SMILES
    CCCCCOc1ccc(CN[C@@]2(C)C[C@@H](O[C@H]3[C@H](Oc4c5cc6cc4Oc4ccc(cc4Cl)[C@@H](C[C@H]4C[C@](C)(N)[C@@H](O)[C@H](C)O4)[C@]4(C)NC(=O)[C@H](NC(=O)[C@@H]6NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](NC(=O)[C@@H](CC(C)C)NC)[C@H](O)c6ccc(c(Cl)c6)O5)c5ccc(O)c(c5)-c5c(O)cc(O)cc5[C@@H](C(=O)O)NC4=O)O[C@H](CO)[C@@H](O)[C@@H]3O)O[C@@H](C)[C@@H]2O)cc1
    InChI
    InChI=1S/C87H108Cl2N10O26/c1-10-11-12-23-118-47-18-13-41(14-19-47)36-93-86(7)35-64(120-40(5)76(86)109)124-74-72(107)71(106)62(37-100)123-83(74)125-73-60-28-45-29-61(73)122-59-22-17-44(27-53(59)89)70(105)69(97-77(110)54(92-9)24-38(2)3)80(113)94-55(33-63(90)104)78(111)95-67(45)79(112)96-66-43-15-20-56(102)49(25-43)65-50(30-46(101)31-57(65)103)68(82(115)116)98-84(117)87(8,99-81(66)114)51(42-16-21-58(121-60)52(88)26-42)32-48-34-85(6,91)75(108)39(4)119-48/h13-22,25-31,38-40,48,51,54-55,62,64,66-72,74-76,83,92-93,100-103,105-109H,10-12,23-24,32-37,91H2,1-9H3,(H2,90,104)(H,94,113)(H,95,111)(H,96,112)(H,97,110)(H,98,117)(H,99,114)(H,115,116)/t39-,40-,48-,51+,54+,55-,62+,64+,66+,67+,68-,69?,70+,71+,72-,74+,75-,76-,83-,85-,86-,87-/m0/s1
    MOLECULAR FORMULA
    C87H108Cl2N10O26
    CROSS REFERENCES
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    canSAR1705831
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight1778.68
    AlogP4.59
    HBond donors22
    HBond acceptors36
    Atoms233
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1705831.