Compound Synopsis
Compound Overview
Bioactivity Data Summary
Protein Affinity Profile
Cellline Sensitivity Profile

189189 - Overview - Compound Synopsis

Synonyms
Molecular Formula
C74H103Cl2NO38
InChI
InChI=1S/C74H103Cl2NO38/c1-17-18-94-57-46(75)29(3)45(56(91-14)47(57)76)65(85)107-51-30(4)99-42(21-38(51)103-43-23-70(9,77(87)88)60(93-16)33(7)100-43)106-50-32(6)111-73(22-37(50)80)114-61-34(8)101-68(59(83)72(61,11)115-73)109-62-52(90-13)31(5)102-69(71(62,10)86)108-53-39(24-89-12)105-67(58(92-15)48(53)81)110-66-49(82)54-41(25-95-66)112-74(113-54)63-55(96-27-97-63)40(26-98-74)104-64(84)44-28(2)19-35(78)20-36(44)79/h17,19-20,30-34,37-43,48-55,58-63,66-69,78-83,86H,1,18,21-27H2,2-16H3/t30-,31-,32-,33+,34-,37-,38-,39-,40-,41+,42+,43+,48+,49-,50-,51-,52+,53-,54-,55+,58+,59-,60+,61-,62+,63-,66+,67+,68+,69+,70+,71-,72-,73-,74-/m1/s1
Smiles
C=CCOc1c(Cl)c(C)c(C(=O)O[C@@H]2[C@@H](C)O[C@@H](O[C@H]3[C@H](O)C[C@@]4(O[C@@H]3C)O[C@@H]3[C@@H](C)O[C@@H](O[C@H]5[C@@H](OC)[C@@H](C)O[C@@H](O[C@H]6[C@H](O)[C@H](OC)[C@H](O[C@@H]7OC[C@@H]8O[C@@]9(OC[C@@H](OC(=O)c%10c(C)cc(O)cc%10O)[C@@H]%10OCO[C@H]%109)O[C@H]8[C@H]7O)O[C@@H]6COC)[C@]5(C)O)[C@@H](O)[C@@]3(C)O4)C[C@H]2O[C@H]2C[C@](C)([N+](=O)[O-])[C@@H](OC)[C@H](C)O2)c(OC)c1Cl
Cross References
UniChem237561
canSAR189189
ChEMBLCHEMBL264734
Commercially Available
Unknown


MOLECULAR_WEIGHT ALOGP HBOND_DONORS HBOND_ACCEPTORS ATOMS CONTAINS_TOXICOPHORE
Properties 1683.5535132162.51144739218No


Compounds with the same scaffold


Image of compound ID: 189189
Murko Scaffold Family: 36 compoundsClick here to open a new canSAR search with these compounds

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