General Information of the Compound
| Compound ID |
CP0416531
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| Compound Name |
8-chloro-N-(1-methylpiperidin-4-yl)-6H-pyrido[2,3-b][1,5]benzoxazepin-5-imine
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| Structure |
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| Formula |
C18H19ClN4O
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| Molecular Weight |
342.83
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| Canonical SMILES |
CN1CCC(CC1)NC1=Nc2cc(Cl)ccc2Oc2ncccc12
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| InChI |
InChI=1S/C18H19ClN4O/c1-23-9-6-13(7-10-23)21-17-14-3-2-8-20-18(14)24-16-5-4-12(19)11-15(16)22-17/h2-5,8,11,13H,6-7,9-10H2,1H3,(H,21,22)
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| InChIKey |
MSNNLWDRHCHMHQ-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