General Information of the Compound
| Compound ID |
CP0416600
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| Compound Name |
N-(2-methylcyclohexyl)-1-[5-[5-[[(5-methylpyrimidin-2-yl)amino]methyl]pyrazol-1-yl]-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide
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| Structure |
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| Formula |
C24H33N9OS
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| Molecular Weight |
495.657
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| Canonical SMILES |
CC1CCCCC1NC(=O)C1CCN(CC1)c1nnc(s1)-n1nccc1CNc1ncc(C)cn1
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| InChI |
InChI=1S/C24H33N9OS/c1-16-13-25-22(26-14-16)27-15-19-7-10-28-33(19)24-31-30-23(35-24)32-11-8-18(9-12-32)21(34)29-20-6-4-3-5-17(20)2/h7,10,13-14,17-18,20H,3-6,8-9,11-12,15H2,1-2H3,(H,29,34)(H,25,26,27)
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| InChIKey |
IUXMLJCZQUGCQV-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