General Information of the Compound
| Compound ID |
CP0463507
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| Compound Name |
(4-chlorophenyl)-[(3R,5S)-7-ethyl-3,5-dimethyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methanone
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| Structure |
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| Formula |
C20H22ClNO2
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| Molecular Weight |
343.854
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| Canonical SMILES |
CCc1ccc2OC[C@@H](C)N([C@@H](C)c2c1)C(=O)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C20H22ClNO2/c1-4-15-5-10-19-18(11-15)14(3)22(13(2)12-24-19)20(23)16-6-8-17(21)9-7-16/h5-11,13-14H,4,12H2,1-3H3/t13-,14+/m1/s1
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| InChIKey |
WAXVHSRSZABSKV-KGLIPLIRSA-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