General Information of the Compound
| Compound ID |
CP0291688
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| Compound Name |
2-[(2R)-1-(propan-2-yl)pyrrolidin-2-yl]-1H-1,3-benzodiazole-4-carboxamide
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| Structure |
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| Formula |
C15H20N4O
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| Molecular Weight |
272.352
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| Canonical SMILES |
CC(C)N1CCC[C@@H]1c1nc2cccc(C(N)=O)c2[nH]1
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| InChI |
InChI=1S/C15H20N4O/c1-9(2)19-8-4-7-12(19)15-17-11-6-3-5-10(14(16)20)13(11)18-15/h3,5-6,9,12H,4,7-8H2,1-2H3,(H2,16,20)(H,17,18)/t12-/m1/s1
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| InChIKey |
AACMGYWBWGBZPF-GFCCVEGCSA-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