General Information of the Compound
| Compound ID |
CP0567992
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| Compound Name |
7-(2-chloro-5-cyanophenyl)-N-[(1S,3R)-3-hydroxycyclopentyl]-1-benzofuran-2-carboxamide
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| Structure |
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| Formula |
C21H17ClN2O3
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| Molecular Weight |
380.831
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| Canonical SMILES |
O[C@@H]1CC[C@@H](C1)NC(=O)c1cc2cccc(-c3cc(ccc3Cl)C#N)c2o1
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| InChI |
InChI=1S/C21H17ClN2O3/c22-18-7-4-12(11-23)8-17(18)16-3-1-2-13-9-19(27-20(13)16)21(26)24-14-5-6-15(25)10-14/h1-4,7-9,14-15,25H,5-6,10H2,(H,24,26)/t14-,15+/m0/s1
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| InChIKey |
ULGBDVGBFRPXRT-LSDHHAIUSA-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