General Information of the Compound
| Compound ID |
CP0434744
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| Compound Name |
7-(3-Chloro-4-fluorophenyl)-5-(2-furyl)-5-(pentafluoroethyl)-1,5-dihydro-4,1-benzoxazepin-2(H)-one
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| Structure |
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| Formula |
C22H12F6N2O3
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| Molecular Weight |
466.337
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| Canonical SMILES |
Fc1cc(cc(c1)-c1ccc2NC(=O)COC(c3ccco3)(c2c1)C(F)(F)C(F)(F)F)C#N
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| InChI |
InChI=1S/C22H12F6N2O3/c23-15-7-12(10-29)6-14(8-15)13-3-4-17-16(9-13)20(18-2-1-5-32-18,33-11-19(31)30-17)21(24,25)22(26,27)28/h1-9H,11H2,(H,30,31)
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| InChIKey |
VFYNKRVUEOCUDH-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