General Information of the Compound
| Compound ID |
CP0215281
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| Compound Name |
N-(1H-benzimidazol-2-yl)-2-[1-(2-imidazol-1-ylpyrimidin-4-yl)piperidin-2-yl]acetamide
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| Structure |
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| Formula |
C21H22N8O
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| Molecular Weight |
402.462
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| Canonical SMILES |
O=C(CC1CCCCN1c1ccnc(n1)-n1ccnc1)Nc1nc2ccccc2[nH]1
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| InChI |
InChI=1S/C21H22N8O/c30-19(27-20-24-16-6-1-2-7-17(16)25-20)13-15-5-3-4-11-29(15)18-8-9-23-21(26-18)28-12-10-22-14-28/h1-2,6-10,12,14-15H,3-5,11,13H2,(H2,24,25,27,30)
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| InChIKey |
KKOHDWOUQQFWIP-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