General Information of the Compound
| Compound ID |
CP0534440
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| Compound Name |
N-[4-(4-aminopiperidin-1-yl)-5-(3,5-dimethylphenyl)pyridin-3-yl]-3,5-dimethylbenzamide
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| Structure |
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| Formula |
C27H32N4O
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| Molecular Weight |
428.58
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| Canonical SMILES |
Cc1cc(C)cc(c1)C(=O)Nc1cncc(-c2cc(C)cc(C)c2)c1N1CCC(N)CC1
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| InChI |
InChI=1S/C27H32N4O/c1-17-9-18(2)12-21(11-17)24-15-29-16-25(26(24)31-7-5-23(28)6-8-31)30-27(32)22-13-19(3)10-20(4)14-22/h9-16,23H,5-8,28H2,1-4H3,(H,30,32)
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| InChIKey |
KIXRDOLMJGXBHH-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