General Information of the Compound
| Compound ID |
CP0416601
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| Compound Name |
N-(2-methylcyclohexyl)-1-[5-[5-[[(5-methylpyridin-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 |
C25H34N8OS
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| Molecular Weight |
494.669
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| Canonical SMILES |
CC1CCCCC1NC(=O)C1CCN(CC1)c1nnc(s1)-n1nccc1CNc1ccc(C)cn1
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| InChI |
InChI=1S/C25H34N8OS/c1-17-7-8-22(26-15-17)27-16-20-9-12-28-33(20)25-31-30-24(35-25)32-13-10-19(11-14-32)23(34)29-21-6-4-3-5-18(21)2/h7-9,12,15,18-19,21H,3-6,10-11,13-14,16H2,1-2H3,(H,26,27)(H,29,34)
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| InChIKey |
FUGSGMMXUVQDOY-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
Protein ID: PT04361, Protein smoothened
Protein ID: PT02397, Protein smoothened