General Information of the Compound
| Compound ID |
CP0562545
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| Compound Name |
1-[5-[5-(hydroxymethyl)pyrazol-1-yl]-1,3,4-thiadiazol-2-yl]-N-(2-methylcyclohexyl)piperidine-4-carboxamide
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| Structure |
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| Formula |
C19H28N6O2S
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| Molecular Weight |
404.54
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| Canonical SMILES |
CC1CCCCC1NC(=O)C1CCN(CC1)c1nnc(s1)-n1nccc1CO
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| InChI |
InChI=1S/C19H28N6O2S/c1-13-4-2-3-5-16(13)21-17(27)14-7-10-24(11-8-14)18-22-23-19(28-18)25-15(12-26)6-9-20-25/h6,9,13-14,16,26H,2-5,7-8,10-12H2,1H3,(H,21,27)
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| InChIKey |
GTARGNODZQVELD-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