General Information of the Compound
| Compound ID |
CP0459005
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| Compound Name |
(4-chlorophenyl)-[(3R,5S)-3,5-dimethyl-7-methylsulfanyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methanone
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| Structure |
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| Formula |
C19H20ClNO2S
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| Molecular Weight |
361.894
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| Canonical SMILES |
CSc1ccc2OC[C@@H](C)N([C@@H](C)c2c1)C(=O)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C19H20ClNO2S/c1-12-11-23-18-9-8-16(24-3)10-17(18)13(2)21(12)19(22)14-4-6-15(20)7-5-14/h4-10,12-13H,11H2,1-3H3/t12-,13+/m1/s1
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| InChIKey |
MBARCLLTOAMSJY-OLZOCXBDSA-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