General Information of the Compound
| Compound ID |
CP0194198
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| Compound Name |
N-(2-adamantyl)-2-[4-(3-cyanopyridin-2-yl)piperazin-1-yl]acetamide
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| Structure |
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| Formula |
C22H29N5O
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| Molecular Weight |
379.508
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| Canonical SMILES |
O=C(CN1CCN(CC1)c1ncccc1C#N)NC1C2CC3CC(C2)CC1C3
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| InChI |
InChI=1S/C22H29N5O/c23-13-17-2-1-3-24-22(17)27-6-4-26(5-7-27)14-20(28)25-21-18-9-15-8-16(11-18)12-19(21)10-15/h1-3,15-16,18-19,21H,4-12,14H2,(H,25,28)
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| InChIKey |
LTTIAASWMSZBDG-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