General Information of the Compound
| Compound ID |
CP0262594
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| Compound Name |
2-[3-methyl-1-(propan-2-yl)pyrrolidin-3-yl]-1H-1,3-benzodiazole-4-carboxamide
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| Structure |
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| Formula |
C16H22N4O
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| Molecular Weight |
286.379
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| Canonical SMILES |
CC(C)N1CCC(C)(C1)c1nc2cccc(C(N)=O)c2[nH]1
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| InChI |
InChI=1S/C16H22N4O/c1-10(2)20-8-7-16(3,9-20)15-18-12-6-4-5-11(14(17)21)13(12)19-15/h4-6,10H,7-9H2,1-3H3,(H2,17,21)(H,18,19)
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| InChIKey |
MXVHYHSXVGUFLG-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