General Information of the Compound
| Compound ID |
CP0556230
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| Compound Name |
1-(3,4-dichloroanilino)-6-(3-piperidin-1-ylpropyl)-8,9-dihydro-7H-pyrido[4,3-c]azepin-5-one
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| Structure |
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| Formula |
C23H28Cl2N4O
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| Molecular Weight |
447.41
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| Canonical SMILES |
Clc1ccc(Nc2nccc3c2CCCN(CCCN2CCCCC2)C3=O)cc1Cl
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| InChI |
InChI=1S/C23H28Cl2N4O/c24-20-8-7-17(16-21(20)25)27-22-18-6-4-14-29(23(30)19(18)9-10-26-22)15-5-13-28-11-2-1-3-12-28/h7-10,16H,1-6,11-15H2,(H,26,27)
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| InChIKey |
CAYQKSJDIQFNIT-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