General Information of the Compound
| Compound ID |
CP0853701
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| Compound Name |
Trifluoro-acetate2-{2-[7-chloro-6-(6-chloro-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 |
C31H30Cl2F3N5O5
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| Molecular Weight |
680.511
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| Canonical SMILES |
Cc1cc(C)cc(-c2c(O)nc3cc(Cl)c(C(=O)Nc4cc(Cl)ncn4)cc3c2OCCC2CCCCN2)c1.O=C(O)C(F)(F)F
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| InChI |
InChI=1S/C29H29Cl2N5O3.C2HF3O2/c1-16-9-17(2)11-18(10-16)26-27(39-8-6-19-5-3-4-7-32-19)21-12-20(22(30)13-23(21)35-29(26)38)28(37)36-25-14-24(31)33-15-34-25;3-2(4,5)1(6)7/h9-15,19,32H,3-8H2,1-2H3,(H,35,38)(H,33,34,36,37);(H,6,7)
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| InChIKey |
CVMKVPXEOFJAJA-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