General Information of the Compound
| Compound ID |
CP0443905
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| Compound Name |
N-[1-[4-(diaminomethylidenecarbamoyl)-2-(trifluoromethyl)phenyl]piperidin-4-yl]-1H-pyrrole-2-carboxamide
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| Structure |
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| Formula |
C19H21F3N6O2
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| Molecular Weight |
422.411
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| Canonical SMILES |
NC(=N)NC(=O)c1ccc(N2CCC(CC2)NC(=O)c2ccc[nH]2)c(c1)C(F)(F)F
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| InChI |
InChI=1S/C19H21F3N6O2/c20-19(21,22)13-10-11(16(29)27-18(23)24)3-4-15(13)28-8-5-12(6-9-28)26-17(30)14-2-1-7-25-14/h1-4,7,10,12,25H,5-6,8-9H2,(H,26,30)(H4,23,24,27,29)
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| InChIKey |
RGQILMPUTAKOOX-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