General Information of the Compound
| Compound ID |
CP0540379
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| Compound Name |
1-[3-(6-chloro-1H-benzimidazol-2-yl)-5-(3,5-dimethylphenyl)pyridin-4-yl]piperidin-4-amine
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| Formula |
C25H26ClN5
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| Molecular Weight |
431.971
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| Canonical SMILES |
Cc1cc(C)cc(c1)-c1cncc(-c2nc3cc(Cl)ccc3[nH]2)c1N1CCC(N)CC1
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| InChI |
InChI=1S/C25H26ClN5/c1-15-9-16(2)11-17(10-15)20-13-28-14-21(24(20)31-7-5-19(27)6-8-31)25-29-22-4-3-18(26)12-23(22)30-25/h3-4,9-14,19H,5-8,27H2,1-2H3,(H,29,30)
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| InChIKey |
DKSDCAGDWFXMHV-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