General Information of the Compound
| Compound ID |
CP0890391
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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)-4-methyl-1H-pyrazole-3-carboxamide
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| Structure |
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| Formula |
C17H22N4O3S
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| Molecular Weight |
362.455
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| Canonical SMILES |
Cc1cn[nH]c1C(=O)Nc1sc2c(c1C(N)=O)CC(C)(C)OC2(C)C
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| InChI |
InChI=1S/C17H22N4O3S/c1-8-7-19-21-11(8)14(23)20-15-10(13(18)22)9-6-16(2,3)24-17(4,5)12(9)25-15/h7H,6H2,1-5H3,(H2,18,22)(H,19,21)(H,20,23)
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| InChIKey |
NQVIRHGQMVUASM-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