General Information of the Compound
| Compound ID |
CP0434746
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| Compound Name |
7-(3-Chloro-4-fluorophenyl)-5,5-bis(4-chlorophenyl)-1,5-dihydro-4,1-benzoxazepin-2(H)-one
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| Structure |
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| Formula |
C23H13Cl3FNO2S2
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| Molecular Weight |
524.853
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| Canonical SMILES |
Fc1ccc(cc1Cl)-c1ccc2NC(=O)COC(c3ccc(Cl)s3)(c3ccc(Cl)s3)c2c1
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| InChI |
InChI=1S/C23H13Cl3FNO2S2/c24-15-10-13(1-3-16(15)27)12-2-4-17-14(9-12)23(30-11-22(29)28-17,18-5-7-20(25)31-18)19-6-8-21(26)32-19/h1-10H,11H2,(H,28,29)
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| InChIKey |
GCUBPQQBLYOSGD-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