General Information of the Compound
| Compound ID |
CP0958867
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| Compound Name |
(S)-N-(1-(4-(hydroxymethyl)thiazol-2-yl)-2-(piperidin-4-yl)ethyl)-5-(4-(trifluoromethyl)phenyl)-1H-pyrrole-2-carboxamide
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| Formula |
C23H25F3N4O2S
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| Molecular Weight |
478.54
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| Canonical SMILES |
O=C(N[C@@H](CC1CCNCC1)c1nc(CO)cs1)c1ccc(-c2ccc(C(F)(F)F)cc2)[nH]1
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| InChI |
InChI=1S/C23H25F3N4O2S/c24-23(25,26)16-3-1-15(2-4-16)18-5-6-19(29-18)21(32)30-20(11-14-7-9-27-10-8-14)22-28-17(12-31)13-33-22/h1-6,13-14,20,27,29,31H,7-12H2,(H,30,32)/t20-/m0/s1
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| InChIKey |
WHZPZKIAMIABKQ-FQEVSTJZSA-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