General Information of the Compound
| Compound ID |
CP0203702
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| Compound Name |
2-(pyrrolidin-3-yl)-1H-1,3-benzodiazole-4-carboxamide
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| Structure |
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| Formula |
C12H14N4O
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| Molecular Weight |
230.271
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| Canonical SMILES |
NC(=O)c1cccc2nc([nH]c12)C1CCNC1
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| InChI |
InChI=1S/C12H14N4O/c13-11(17)8-2-1-3-9-10(8)16-12(15-9)7-4-5-14-6-7/h1-3,7,14H,4-6H2,(H2,13,17)(H,15,16)
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| InChIKey |
ATXAINYEEUYIMJ-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