General Information of the Compound
| Compound ID |
CP0567274
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| Compound Name |
[7-chloro-4-(4-chloroanilino)-3,4-dihydro-2H-quinolin-1-yl]-(3,4-dimethoxyphenyl)methanone
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| Structure |
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| Formula |
C24H22Cl2N2O3
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| Molecular Weight |
457.357
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| Canonical SMILES |
COc1ccc(cc1OC)C(=O)N1CCC(Nc2ccc(Cl)cc2)c2ccc(Cl)cc12
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| InChI |
InChI=1S/C24H22Cl2N2O3/c1-30-22-10-3-15(13-23(22)31-2)24(29)28-12-11-20(19-9-6-17(26)14-21(19)28)27-18-7-4-16(25)5-8-18/h3-10,13-14,20,27H,11-12H2,1-2H3
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| InChIKey |
YELZSYQKVOBWJQ-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