General Information of the Compound
| Compound ID |
CP0559166
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| Compound Name |
2-[4-(4-aminopiperidin-1-yl)-5-(3,5-dimethylphenyl)pyridin-3-yl]-3H-benzimidazole-5-carbonitrile
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| Formula |
C26H26N6
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| Molecular Weight |
422.536
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| Canonical SMILES |
Cc1cc(C)cc(c1)-c1cncc(-c2nc3cc(ccc3[nH]2)C#N)c1N1CCC(N)CC1
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| InChI |
InChI=1S/C26H26N6/c1-16-9-17(2)11-19(10-16)21-14-29-15-22(25(21)32-7-5-20(28)6-8-32)26-30-23-4-3-18(13-27)12-24(23)31-26/h3-4,9-12,14-15,20H,5-8,28H2,1-2H3,(H,30,31)
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| InChIKey |
WPSXCBVWJHNRDN-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
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2
Protein ID: PT01505, Somatostatin receptor type 2