General Information of the Compound
| Compound ID |
CP0537071
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| Compound Name |
N-(1-cyclohexylpiperidin-4-yl)-1-(2,4-difluorophenyl)triazole-4-carboxamide
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| Structure |
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| Formula |
C20H25F2N5O
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| Molecular Weight |
389.45
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| Canonical SMILES |
Fc1ccc(c(F)c1)-n1cc(nn1)C(=O)NC1CCN(CC1)C1CCCCC1
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| InChI |
InChI=1S/C20H25F2N5O/c21-14-6-7-19(17(22)12-14)27-13-18(24-25-27)20(28)23-15-8-10-26(11-9-15)16-4-2-1-3-5-16/h6-7,12-13,15-16H,1-5,8-11H2,(H,23,28)
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| InChIKey |
LXPUDIQBEGHYOY-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