General Information of the Compound
| Compound ID |
CP0416598
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| Compound Name |
N-(2-methylcyclohexyl)-1-[5-[1-methyl-5-[[(5-methylpyridin-2-yl)amino]methyl]pyrazol-4-yl]-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide
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| Structure |
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| Formula |
C26H36N8OS
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| Molecular Weight |
508.696
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| Canonical SMILES |
CC1CCCCC1NC(=O)C1CCN(CC1)c1nnc(s1)-c1cnn(C)c1CNc1ccc(C)cn1
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| InChI |
InChI=1S/C26H36N8OS/c1-17-8-9-23(27-14-17)28-16-22-20(15-29-33(22)3)25-31-32-26(36-25)34-12-10-19(11-13-34)24(35)30-21-7-5-4-6-18(21)2/h8-9,14-15,18-19,21H,4-7,10-13,16H2,1-3H3,(H,27,28)(H,30,35)
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| InChIKey |
FJGFWLNGWOUFRZ-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