General Information of the Compound
| Compound ID |
CP0919147
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| Compound Name |
1-(6-((Z)-amino((R)-4-(2,2-diphenylacetamido)-5-(4-hydroxybenzylamino)-5-oxopentylamino)methyleneamino)-6-oxohexyl)-4-((E)-2-(1,2,3,5,6,7-hexahydropyrido[3,2,1-ij]quinolin-9-yl)vinyl)-2,6-dimethylpyridinium 2,2,2-trifluoroacetate
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| Structure |
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| Formula |
C56H64F3N7O6
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| Molecular Weight |
988.165
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| Canonical SMILES |
Cc1cc(/C=C/c2cc3c4c(c2)CCCN4CCC3)cc(C)[n+]1CCCCCC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1.O=C([O-])C(F)(F)F
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| InChI |
InChI=1S/C54H63N7O4.C2HF3O2/c1-38-33-41(23-24-42-35-45-19-13-30-60-31-14-20-46(36-42)51(45)60)34-39(2)61(38)32-11-5-10-22-49(63)59-54(55)56-29-12-21-48(52(64)57-37-40-25-27-47(62)28-26-40)58-53(65)50(43-15-6-3-7-16-43)44-17-8-4-9-18-44;3-2(4,5)1(6)7/h3-4,6-9,15-18,23-28,33-36,48,50H,5,10-14,19-22,29-32,37H2,1-2H3,(H5-,55,56,57,58,59,62,63,64,65);(H,6,7)/t48-;/m1./s1
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| InChIKey |
QBTZAFQFWAVWCS-AKZQISGYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound