General Information of the Compound
| Compound ID |
CP0849296
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| Compound Name |
Trifluoro-acetate2-{2-[6-[(benzo[1,3]dioxol-5-ylmethyl)-carbamoyl]-7-chloro-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 |
C35H35ClF3N3O7
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| Molecular Weight |
702.126
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| Canonical SMILES |
Cc1cc(C)cc(-c2c(O)nc3cc(Cl)c(C(=O)NCc4ccc5c(c4)OCO5)cc3c2OCCC2CCCCN2)c1.O=C(O)C(F)(F)F
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| InChI |
InChI=1S/C33H34ClN3O5.C2HF3O2/c1-19-11-20(2)13-22(12-19)30-31(40-10-8-23-5-3-4-9-35-23)25-15-24(26(34)16-27(25)37-33(30)39)32(38)36-17-21-6-7-28-29(14-21)42-18-41-28;3-2(4,5)1(6)7/h6-7,11-16,23,35H,3-5,8-10,17-18H2,1-2H3,(H,36,38)(H,37,39);(H,6,7)
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| InChIKey |
RABARSCDMWYRQX-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