General Information of the Compound
| Compound ID |
CP0531182
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| Compound Name |
3-[5,5-bis(5-chlorothiophen-2-yl)-2-oxo-1,2,3,5-tetrahydro-4,1-benzoxazepin-7-yl]-5-fluorobenzonitrile
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| Structure |
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| Formula |
C24H13Cl2FN2O2S2
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| Molecular Weight |
515.418
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| Canonical SMILES |
Fc1cc(cc(c1)-c1ccc2NC(=O)COC(c3ccc(Cl)s3)(c3ccc(Cl)s3)c2c1)C#N
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| InChI |
InChI=1S/C24H13Cl2FN2O2S2/c25-21-5-3-19(32-21)24(20-4-6-22(26)33-20)17-10-14(1-2-18(17)29-23(30)12-31-24)15-7-13(11-28)8-16(27)9-15/h1-10H,12H2,(H,29,30)
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| InChIKey |
KECCRENCUJSFSX-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