General Information of the Compound
| Compound ID |
CP0141850
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| Compound Name |
N-(5-cyanocyclooctyl)-2-methyl-2-[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]propanamide
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| Structure |
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| Formula |
C23H32F3N5O
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| Molecular Weight |
451.537
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| Canonical SMILES |
CC(C)(N1CCN(CC1)c1ccc(cn1)C(F)(F)F)C(=O)NC1CCCC(CCC1)C#N
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| InChI |
InChI=1S/C23H32F3N5O/c1-22(2,21(32)29-19-7-3-5-17(15-27)6-4-8-19)31-13-11-30(12-14-31)20-10-9-18(16-28-20)23(24,25)26/h9-10,16-17,19H,3-8,11-14H2,1-2H3,(H,29,32)
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| InChIKey |
DJTWBQCPSRQQDF-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