General Information of the Compound
| Compound ID |
CP0921767
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| Compound Name |
Trifluoro-acetate2-{2-[7-chloro-6-(4-dimethylamino-phenylcarbamoyl)-3-(3,5-dimethyl-phenyl)-2-oxo-1,2-dihydro-quinolin-4-yloxy]-ethyl}-piperidinium
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| Structure |
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| Formula |
C35H38ClF3N4O5
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| Molecular Weight |
687.159
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| Canonical SMILES |
Cc1cc(C)cc(-c2c(O)nc3cc(Cl)c(C(=O)Nc4ccc(N(C)C)cc4)cc3c2OCCC2CCCCN2)c1.O=C(O)C(F)(F)F
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| InChI |
InChI=1S/C33H37ClN4O3.C2HF3O2/c1-20-15-21(2)17-22(16-20)30-31(41-14-12-23-7-5-6-13-35-23)27-18-26(28(34)19-29(27)37-33(30)40)32(39)36-24-8-10-25(11-9-24)38(3)4;3-2(4,5)1(6)7/h8-11,15-19,23,35H,5-7,12-14H2,1-4H3,(H,36,39)(H,37,40);(H,6,7)
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| InChIKey |
BNQBPPZAPHYZNI-UHFFFAOYSA-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