General Information of the Compound
| Compound ID |
CP0459008
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| Compound Name |
(4-chlorophenyl)-[(3R,5S)-7-(difluoromethoxy)-3,5-dimethyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methanone
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| Structure |
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| Formula |
C19H18ClF2NO3
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| Molecular Weight |
381.806
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| Canonical SMILES |
C[C@@H]1COc2ccc(OC(F)F)cc2[C@H](C)N1C(=O)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C19H18ClF2NO3/c1-11-10-25-17-8-7-15(26-19(21)22)9-16(17)12(2)23(11)18(24)13-3-5-14(20)6-4-13/h3-9,11-12,19H,10H2,1-2H3/t11-,12+/m1/s1
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| InChIKey |
FPYLBKFNXBOCNV-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