General Information of the Compound
| Compound ID |
CP0203706
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| Compound Name |
2-(3-methylpyrrolidin-3-yl)-1H-1,3-benzodiazole-4-carboxamide
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| Structure |
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| Formula |
C13H16N4O
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| Molecular Weight |
244.298
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| Canonical SMILES |
CC1(CCNC1)c1nc2cccc(C(N)=O)c2[nH]1
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| InChI |
InChI=1S/C13H16N4O/c1-13(5-6-15-7-13)12-16-9-4-2-3-8(11(14)18)10(9)17-12/h2-4,15H,5-7H2,1H3,(H2,14,18)(H,16,17)
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| InChIKey |
JSGRLNJKTKDILH-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