General Information of the Compound
| Compound ID |
CP0564270
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| Compound Name |
N-[4-(4-aminopiperidin-1-yl)-5-(3,5-dichlorophenyl)pyridin-3-yl]-1-methyl-5-(trifluoromethyl)pyrazole-4-carboxamide
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| Formula |
C22H21Cl2F3N6O
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| Molecular Weight |
513.351
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| Canonical SMILES |
Cn1ncc(C(=O)Nc2cncc(-c3cc(Cl)cc(Cl)c3)c2N2CCC(N)CC2)c1C(F)(F)F
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| InChI |
InChI=1S/C22H21Cl2F3N6O/c1-32-20(22(25,26)27)17(10-30-32)21(34)31-18-11-29-9-16(12-6-13(23)8-14(24)7-12)19(18)33-4-2-15(28)3-5-33/h6-11,15H,2-5,28H2,1H3,(H,31,34)
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| InChIKey |
PZYGPMIBLQNMOM-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