General Information of the Compound
| Compound ID |
CP0344933
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| Compound Name |
2-(2-methylpyrrolidin-2-yl)-6-(trifluoromethyl)-1H-1,3-benzodiazole-4-carboxamide
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| Structure |
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| Formula |
C14H15F3N4O
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| Molecular Weight |
312.295
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| Canonical SMILES |
CC1(CCCN1)c1nc2c(cc(cc2[nH]1)C(F)(F)F)C(N)=O
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| InChI |
InChI=1S/C14H15F3N4O/c1-13(3-2-4-19-13)12-20-9-6-7(14(15,16)17)5-8(11(18)22)10(9)21-12/h5-6,19H,2-4H2,1H3,(H2,18,22)(H,20,21)
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| InChIKey |
ZSMHEAVFVSTGHJ-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