General Information of the Compound
| Compound ID |
CP0205610
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| Compound Name |
2-[4-(2-chlorophenyl)-1H-pyrazol-5-yl]-4,5-dihydrothieno[3,2-d][1]benzoxepine-8-carboxamide
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| Structure |
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| Formula |
C22H16ClN3O2S
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| Molecular Weight |
421.909
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| Canonical SMILES |
NC(=O)c1ccc2-c3sc(cc3CCOc2c1)-c1n[nH]cc1-c1ccccc1Cl
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| InChI |
InChI=1S/C22H16ClN3O2S/c23-17-4-2-1-3-14(17)16-11-25-26-20(16)19-10-12-7-8-28-18-9-13(22(24)27)5-6-15(18)21(12)29-19/h1-6,9-11H,7-8H2,(H2,24,27)(H,25,26)
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| InChIKey |
XCYRFSCCDMLRDP-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