General Information of the Compound
| Compound ID |
CP0942319
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| Compound Name |
7-(4-(2-(4-chlorophenyl)acetylcarbamothioyl)piperazin-1-yl)-1-ethyl-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
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| Structure |
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| Formula |
C25H24ClFN4O4S
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| Molecular Weight |
531.009
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| Canonical SMILES |
CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCN(C(=S)NC(=O)Cc4ccc(Cl)cc4)CC3)cc21
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| InChI |
InChI=1S/C25H24ClFN4O4S/c1-2-29-14-18(24(34)35)23(33)17-12-19(27)21(13-20(17)29)30-7-9-31(10-8-30)25(36)28-22(32)11-15-3-5-16(26)6-4-15/h3-6,12-14H,2,7-11H2,1H3,(H,34,35)(H,28,32,36)
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| InChIKey |
YVZDPMOQPJVICD-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