General Information of the Compound
| Compound ID |
CP0035028
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| Compound Name |
4-(4-methyl-4H-1,2,4-triazol-3-yl)-N-(2-phenylcyclopropyl)piperidine-1-carboxamide
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| Structure |
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| Formula |
C18H23N5O
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| Molecular Weight |
325.416
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| Canonical SMILES |
Cn1cnnc1C1CCN(CC1)C(=O)NC1CC1c1ccccc1
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| InChI |
InChI=1S/C18H23N5O/c1-22-12-19-21-17(22)14-7-9-23(10-8-14)18(24)20-16-11-15(16)13-5-3-2-4-6-13/h2-6,12,14-16H,7-11H2,1H3,(H,20,24)
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| InChIKey |
PMWSGFIJYUECNG-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