General Information of the Compound
| Compound ID |
CP0560835
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| Compound Name |
6-(3-chloro-11-methyl-5,6-dihydrobenzo[b][1]benzazepin-8-yl)pyridine-2-carboxamide
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| Structure |
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| Formula |
C21H18ClN3O
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| Molecular Weight |
363.848
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| Canonical SMILES |
CN1c2ccc(Cl)cc2CCc2cc(ccc12)-c1cccc(n1)C(N)=O
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| InChI |
InChI=1S/C21H18ClN3O/c1-25-19-9-7-13(17-3-2-4-18(24-17)21(23)26)11-14(19)5-6-15-12-16(22)8-10-20(15)25/h2-4,7-12H,5-6H2,1H3,(H2,23,26)
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| InChIKey |
NOHUFCHXXKZLQG-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