General Information of the Compound
| Compound ID |
CP0576429
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| Compound Name |
N-[4-[4-(hydroxymethyl)-1,3-thiazol-2-yl]piperidin-4-yl]-5-[4-(trifluoromethyl)phenyl]-1H-pyrrole-2-carboxamide
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| Formula |
C21H21F3N4O2S
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| Molecular Weight |
450.486
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| Canonical SMILES |
OCc1csc(n1)C1(CCNCC1)NC(=O)c1ccc([nH]1)-c1ccc(cc1)C(F)(F)F
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| InChI |
InChI=1S/C21H21F3N4O2S/c22-21(23,24)14-3-1-13(2-4-14)16-5-6-17(27-16)18(30)28-20(7-9-25-10-8-20)19-26-15(11-29)12-31-19/h1-6,12,25,27,29H,7-11H2,(H,28,30)
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| InChIKey |
BYGCDMVZYYLCCB-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