General Information of the Compound
| Compound ID |
CP0578857
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| Compound Name |
1-[3-(3-chloro-5-fluorophenyl)-5-(6-fluoro-1H-benzimidazol-2-yl)pyridin-4-yl]piperidin-4-amine
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| Formula |
C23H20ClF2N5
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| Molecular Weight |
439.897
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| Canonical SMILES |
NC1CCN(CC1)c1c(cncc1-c1cc(F)cc(Cl)c1)-c1nc2cc(F)ccc2[nH]1
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| InChI |
InChI=1S/C23H20ClF2N5/c24-14-7-13(8-16(26)9-14)18-11-28-12-19(22(18)31-5-3-17(27)4-6-31)23-29-20-2-1-15(25)10-21(20)30-23/h1-2,7-12,17H,3-6,27H2,(H,29,30)
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| InChIKey |
NSIHZAYEDUOSFO-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