General Information of the Compound
| Compound ID |
CP0374277
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| Compound Name |
7-(4-Carbamoylpiperidin-1-yl)-1-cyclopropyl-N-(2,4-dichlorobenzyl)-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxamide
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| Structure |
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| Formula |
C26H25Cl2FN4O3
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| Molecular Weight |
531.415
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| Canonical SMILES |
NC(=O)C1CCN(CC1)c1cc2n(cc(C(=O)NCc3ccc(Cl)cc3Cl)c(=O)c2cc1F)C1CC1
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| InChI |
InChI=1S/C26H25Cl2FN4O3/c27-16-2-1-15(20(28)9-16)12-31-26(36)19-13-33(17-3-4-17)22-11-23(21(29)10-18(22)24(19)34)32-7-5-14(6-8-32)25(30)35/h1-2,9-11,13-14,17H,3-8,12H2,(H2,30,35)(H,31,36)
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| InChIKey |
WJOHCLQFSHPICB-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