General Information of the Compound
| Compound ID |
CP0416599
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| Compound Name |
N-(2-methylcyclohexyl)-1-[5-[5-[(5-methylpyridin-2-yl)oxymethyl]pyrazol-1-yl]-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide
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| Structure |
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| Formula |
C25H33N7O2S
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| Molecular Weight |
495.653
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| Canonical SMILES |
CC1CCCCC1NC(=O)C1CCN(CC1)c1nnc(s1)-n1nccc1COc1ccc(C)cn1
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| InChI |
InChI=1S/C25H33N7O2S/c1-17-7-8-22(26-15-17)34-16-20-9-12-27-32(20)25-30-29-24(35-25)31-13-10-19(11-14-31)23(33)28-21-6-4-3-5-18(21)2/h7-9,12,15,18-19,21H,3-6,10-11,13-14,16H2,1-2H3,(H,28,33)
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| InChIKey |
HEULIPWIILPKDI-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