General Information of the Compound
| Compound ID |
CP0559425
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| Compound Name |
N-(2,5-dichlorophenyl)-2-methyl-5-oxo-4-(2-pyrazol-1-ylethyl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
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| Structure |
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| Formula |
C22H22Cl2N4O2
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| Molecular Weight |
445.35
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| Canonical SMILES |
CC1=C(C(CCn2cccn2)C2=C(CCCC2=O)N1)C(=O)Nc1cc(Cl)ccc1Cl
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| InChI |
InChI=1S/C22H22Cl2N4O2/c1-13-20(22(30)27-18-12-14(23)6-7-16(18)24)15(8-11-28-10-3-9-25-28)21-17(26-13)4-2-5-19(21)29/h3,6-7,9-10,12,15,26H,2,4-5,8,11H2,1H3,(H,27,30)
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| InChIKey |
XKPDMKYPTHXBMT-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