General Information of the Compound
| Compound ID |
CP0890393
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| Compound Name |
N-(3-carbamoyl-5,5,7,7-tetramethyl-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
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| Structure |
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| Formula |
C17H19F3N4O3S
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| Molecular Weight |
416.425
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| Canonical SMILES |
CC1(C)Cc2c(sc(NC(=O)c3cc(C(F)(F)F)n[nH]3)c2C(N)=O)C(C)(C)O1
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| InChI |
InChI=1S/C17H19F3N4O3S/c1-15(2)6-7-10(12(21)25)14(28-11(7)16(3,4)27-15)22-13(26)8-5-9(24-23-8)17(18,19)20/h5H,6H2,1-4H3,(H2,21,25)(H,22,26)(H,23,24)
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| InChIKey |
IITIFTPSUWOGJB-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