General Information of the Compound
| Compound ID |
CP0492406
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| Compound Name |
[(3R,5S)-7-chloro-3,5-dimethyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-(4-chlorophenyl)methanone
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| Structure |
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| Formula |
C18H17Cl2NO2
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| Molecular Weight |
350.245
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| Canonical SMILES |
C[C@@H]1COc2ccc(Cl)cc2[C@H](C)N1C(=O)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C18H17Cl2NO2/c1-11-10-23-17-8-7-15(20)9-16(17)12(2)21(11)18(22)13-3-5-14(19)6-4-13/h3-9,11-12H,10H2,1-2H3/t11-,12+/m1/s1
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| InChIKey |
JNYTYLPKKZORKE-NEPJUHHUSA-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