General Information of the Compound
| Compound ID |
CP0147647
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| Compound Name |
5-(2-aminopyrimidin-4-yl)-2-[2-ethyl-5-(trifluoromethyl)phenyl]-1H-pyrrole-3-carboxamide
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| Structure |
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| Formula |
C18H16F3N5O
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| Molecular Weight |
375.354
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| Canonical SMILES |
CCc1ccc(cc1-c1[nH]c(cc1C(N)=O)-c1ccnc(N)n1)C(F)(F)F
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| InChI |
InChI=1S/C18H16F3N5O/c1-2-9-3-4-10(18(19,20)21)7-11(9)15-12(16(22)27)8-14(25-15)13-5-6-24-17(23)26-13/h3-8,25H,2H2,1H3,(H2,22,27)(H2,23,24,26)
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| InChIKey |
DBTPIYXNTFESLE-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