General Information of the Compound
| Compound ID |
CP0563234
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| Compound Name |
1-(3,4-dichloroanilino)-6-(3-morpholin-4-ylpropyl)-8,9-dihydro-7H-pyrido[4,3-c]azepin-5-one
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| Structure |
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| Formula |
C22H26Cl2N4O2
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| Molecular Weight |
449.382
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| Canonical SMILES |
Clc1ccc(Nc2nccc3c2CCCN(CCCN2CCOCC2)C3=O)cc1Cl
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| InChI |
InChI=1S/C22H26Cl2N4O2/c23-19-5-4-16(15-20(19)24)26-21-17-3-1-9-28(22(29)18(17)6-7-25-21)10-2-8-27-11-13-30-14-12-27/h4-7,15H,1-3,8-14H2,(H,25,26)
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| InChIKey |
BIQWQLXDDMHQPW-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