General Information of the Compound
| Compound ID |
CP0847905
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| Compound Name |
Trifluoro-acetate2-{2-[7-chloro-6-(2-cyclopropyl-pyrimidin-4-ylcarbamoyl)-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 |
C34H35ClF3N5O5
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| Molecular Weight |
686.131
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| Canonical SMILES |
Cc1cc(C)cc(-c2c(O)nc3cc(Cl)c(C(=O)Nc4ccnc(C5CC5)n4)cc3c2OCCC2CCCCN2)c1.O=C(O)C(F)(F)F
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| InChI |
InChI=1S/C32H34ClN5O3.C2HF3O2/c1-18-13-19(2)15-21(14-18)28-29(41-12-9-22-5-3-4-10-34-22)24-16-23(25(33)17-26(24)36-32(28)40)31(39)38-27-8-11-35-30(37-27)20-6-7-20;3-2(4,5)1(6)7/h8,11,13-17,20,22,34H,3-7,9-10,12H2,1-2H3,(H,36,40)(H,35,37,38,39);(H,6,7)
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| InChIKey |
KZOCPKGKWWVYGY-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