General Information of the Compound
| Compound ID |
CP0165937
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| Compound Name |
N-[4-[4-(1-ethylpyrazol-4-yl)-1,1,1-trifluoro-2-hydroxybut-3-yn-2-yl]phenyl]-N-(2-methylpropyl)benzenesulfonamide
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| Structure |
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| Formula |
C25H26F3N3O3S
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| Molecular Weight |
505.562
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| Canonical SMILES |
CCn1cc(cn1)C#CC(O)(c1ccc(cc1)N(CC(C)C)S(=O)(=O)c1ccccc1)C(F)(F)F
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| InChI |
InChI=1S/C25H26F3N3O3S/c1-4-30-18-20(16-29-30)14-15-24(32,25(26,27)28)21-10-12-22(13-11-21)31(17-19(2)3)35(33,34)23-8-6-5-7-9-23/h5-13,16,18-19,32H,4,17H2,1-3H3
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| InChIKey |
PIRHVCWFGBWSLW-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