General Information of the Compound
| Compound ID |
CP0471021
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| Compound Name |
1-methyl-N-[4-[1-(propylcarbamoyl)cyclobutyl]phenyl]triazole-4-carboxamide
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| Structure |
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| Formula |
C18H23N5O2
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| Molecular Weight |
341.415
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| Canonical SMILES |
CCCNC(=O)C1(CCC1)c1ccc(NC(=O)c2cn(C)nn2)cc1
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| InChI |
InChI=1S/C18H23N5O2/c1-3-11-19-17(25)18(9-4-10-18)13-5-7-14(8-6-13)20-16(24)15-12-23(2)22-21-15/h5-8,12H,3-4,9-11H2,1-2H3,(H,19,25)(H,20,24)
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| InChIKey |
CVUVALXGKXHVAT-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