General Information of the Compound
| Compound ID |
CP0416532
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| Compound Name |
8-chloro-N-(2-piperidin-1-ylethyl)-6H-pyrido[2,3-b][1,5]benzoxazepin-5-imine
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| Structure |
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| Formula |
C19H21ClN4O
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| Molecular Weight |
356.857
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| Canonical SMILES |
Clc1ccc2Oc3ncccc3C(NCCN3CCCCC3)=Nc2c1
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| InChI |
InChI=1S/C19H21ClN4O/c20-14-6-7-17-16(13-14)23-18(15-5-4-8-22-19(15)25-17)21-9-12-24-10-2-1-3-11-24/h4-8,13H,1-3,9-12H2,(H,21,23)
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| InChIKey |
JQWKOVNMSGDRRQ-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