General Information of the Compound
| Compound ID |
CP0268143
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| Compound Name |
5-(2-aminopyrimidin-4-yl)-2-[2,5-bis(trifluoromethyl)phenyl]-1H-pyrrole-3-carboxamide
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| Structure |
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| Formula |
C17H11F6N5O
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| Molecular Weight |
415.297
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| Canonical SMILES |
NC(=O)c1cc([nH]c1-c1cc(ccc1C(F)(F)F)C(F)(F)F)-c1ccnc(N)n1
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| InChI |
InChI=1S/C17H11F6N5O/c18-16(19,20)7-1-2-10(17(21,22)23)8(5-7)13-9(14(24)29)6-12(27-13)11-3-4-26-15(25)28-11/h1-6,27H,(H2,24,29)(H2,25,26,28)
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| InChIKey |
MOMYBDKTKLWNMV-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