General Information of the Compound
| Compound ID |
CP0444038
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| Compound Name |
1-[5-[5-[(4-methylanilino)methyl]pyrazol-1-yl]-1,3,4-thiadiazol-2-yl]-N-(2-methylcyclohexyl)piperidine-4-carboxamide
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| Structure |
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| Formula |
C26H35N7OS
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| Molecular Weight |
493.681
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| Canonical SMILES |
CC1CCCCC1NC(=O)C1CCN(CC1)c1nnc(s1)-n1nccc1CNc1ccc(C)cc1
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| InChI |
InChI=1S/C26H35N7OS/c1-18-7-9-21(10-8-18)27-17-22-11-14-28-33(22)26-31-30-25(35-26)32-15-12-20(13-16-32)24(34)29-23-6-4-3-5-19(23)2/h7-11,14,19-20,23,27H,3-6,12-13,15-17H2,1-2H3,(H,29,34)
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| InChIKey |
QQSQPCXXWJQUFI-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