General Information of the Compound
| Compound ID |
CP0853700
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| Compound Name |
Trifluoro-acetate2-{2-[7-chloro-6-(di-sec-butyl-carbamoyl)-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 |
C35H45ClF3N3O5
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| Molecular Weight |
680.208
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| Canonical SMILES |
CCC(C)N(C(=O)c1cc2c(OCCC3CCCCN3)c(-c3cc(C)cc(C)c3)c(O)nc2cc1Cl)C(C)CC.O=C(O)C(F)(F)F
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| InChI |
InChI=1S/C33H44ClN3O3.C2HF3O2/c1-7-22(5)37(23(6)8-2)33(39)26-18-27-29(19-28(26)34)36-32(38)30(24-16-20(3)15-21(4)17-24)31(27)40-14-12-25-11-9-10-13-35-25;3-2(4,5)1(6)7/h15-19,22-23,25,35H,7-14H2,1-6H3,(H,36,38);(H,6,7)
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| InChIKey |
PCBCYUMCDKMUIX-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