General Information of the Compound
| Compound ID |
CP0110562
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| Compound Name |
(E)-N-(4-amino-2-propylquinolin-6-yl)-3-(2,4-dichlorophenyl)acrylamide
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| Structure |
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| Formula |
C21H19Cl2N3O
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| Molecular Weight |
400.309
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| Canonical SMILES |
CCCc1cc(N)c2cc(NC(=O)\C=C\c3ccc(Cl)cc3Cl)ccc2n1
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| InChI |
InChI=1S/C21H19Cl2N3O/c1-2-3-15-12-19(24)17-11-16(7-8-20(17)25-15)26-21(27)9-5-13-4-6-14(22)10-18(13)23/h4-12H,2-3H2,1H3,(H2,24,25)(H,26,27)/b9-5+
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| InChIKey |
IBCKNMVVKQTDGB-WEVVVXLNSA-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