General Information of the Compound
| Compound ID |
CP0517391
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| Compound Name |
5-(4-chloro-3-fluorophenyl)-N-piperidin-4-yl-1H-pyrrole-2-carboxamide
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| Formula |
C16H17ClFN3O
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| Molecular Weight |
321.783
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| Canonical SMILES |
Fc1cc(ccc1Cl)-c1ccc([nH]1)C(=O)NC1CCNCC1
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| InChI |
InChI=1S/C16H17ClFN3O/c17-12-2-1-10(9-13(12)18)14-3-4-15(21-14)16(22)20-11-5-7-19-8-6-11/h1-4,9,11,19,21H,5-8H2,(H,20,22)
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| InChIKey |
XLYOHELABQVCEL-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