General Information of the Compound
| Compound ID |
CP0572851
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| Compound Name |
N-(2-methylcyclohexyl)-1-[5-[5-[(pyridin-3-ylamino)methyl]pyrazol-1-yl]-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide
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| Structure |
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| Formula |
C24H32N8OS
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| Molecular Weight |
480.642
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| Canonical SMILES |
CC1CCCCC1NC(=O)C1CCN(CC1)c1nnc(s1)-n1nccc1CNc1cccnc1
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| InChI |
InChI=1S/C24H32N8OS/c1-17-5-2-3-7-21(17)28-22(33)18-9-13-31(14-10-18)23-29-30-24(34-23)32-20(8-12-27-32)16-26-19-6-4-11-25-15-19/h4,6,8,11-12,15,17-18,21,26H,2-3,5,7,9-10,13-14,16H2,1H3,(H,28,33)
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| InChIKey |
DCASIUSCLHNNMF-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