General Information of the Compound
| Compound ID |
CP0078421
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| Compound Name |
4-chloro-3-[1-(2-chloro-6-fluorobenzoyl)-3,4-dihydro-2H-quinolin-6-yl]-N-(2-hydroxyethyl)benzamide
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| Structure |
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| Formula |
C25H21Cl2FN2O3
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| Molecular Weight |
487.358
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| Canonical SMILES |
OCCNC(=O)c1ccc(Cl)c(c1)-c1ccc2N(CCCc2c1)C(=O)c1c(F)cccc1Cl
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| InChI |
InChI=1S/C25H21Cl2FN2O3/c26-19-8-6-17(24(32)29-10-12-31)14-18(19)15-7-9-22-16(13-15)3-2-11-30(22)25(33)23-20(27)4-1-5-21(23)28/h1,4-9,13-14,31H,2-3,10-12H2,(H,29,32)
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| InChIKey |
IXUJEUHLFZDQMM-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