General Information of the Compound
| Compound ID |
CP0532884
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| Compound Name |
1-[5-hydroxy-3-(5,6,7,8-tetrahydronaphthalen-2-yl)-5-(trifluoromethyl)-4H-pyrazol-1-yl]-2-phenylethanone
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| Structure |
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| Formula |
C22H21F3N2O2
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| Molecular Weight |
402.416
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| Canonical SMILES |
OC1(CC(=NN1C(=O)Cc1ccccc1)c1ccc2CCCCc2c1)C(F)(F)F
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| InChI |
InChI=1S/C22H21F3N2O2/c23-22(24,25)21(29)14-19(18-11-10-16-8-4-5-9-17(16)13-18)26-27(21)20(28)12-15-6-2-1-3-7-15/h1-3,6-7,10-11,13,29H,4-5,8-9,12,14H2
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| InChIKey |
AZPVYMSQSKQMQK-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