General Information of the Compound
| Compound ID |
CP0567586
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| Compound Name |
9-chloro-2-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-8-methoxy-4,5-dihydro-3H-2-benzazepin-1-one
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| Structure |
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| Formula |
C19H21ClN2O3
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| Molecular Weight |
360.841
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| Canonical SMILES |
COc1ccc2CCCN(Cc3c(C)cc(C)[nH]c3=O)C(=O)c2c1Cl
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| InChI |
InChI=1S/C19H21ClN2O3/c1-11-9-12(2)21-18(23)14(11)10-22-8-4-5-13-6-7-15(25-3)17(20)16(13)19(22)24/h6-7,9H,4-5,8,10H2,1-3H3,(H,21,23)
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| InChIKey |
FPRBNBCSBZOASW-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