General Information of the Compound
| Compound ID |
CP0048016
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| Compound Name |
2-[(2S)-2-methylpyrrolidin-2-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 |
C[C@]1(CCCN1)c1nc2cccc(C(N)=O)c2[nH]1
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| InChI |
InChI=1S/C13H16N4O/c1-13(6-3-7-15-13)12-16-9-5-2-4-8(11(14)18)10(9)17-12/h2,4-5,15H,3,6-7H2,1H3,(H2,14,18)(H,16,17)/t13-/m0/s1
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| InChIKey |
JNAHVYVRKWKWKQ-ZDUSSCGKSA-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