General Information of the Compound
| Compound ID |
CP0416516
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| Compound Name |
1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(2,2,2-trifluoro-1-phenylethyl)urea
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| Structure |
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| Formula |
C21H21F3N2O
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| Molecular Weight |
374.406
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| Canonical SMILES |
FC(F)(F)C(NC(=O)Nc1c2CCCc2cc2CCCc12)c1ccccc1
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| InChI |
InChI=1S/C21H21F3N2O/c22-21(23,24)19(13-6-2-1-3-7-13)26-20(27)25-18-16-10-4-8-14(16)12-15-9-5-11-17(15)18/h1-3,6-7,12,19H,4-5,8-11H2,(H2,25,26,27)
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| InChIKey |
YTWSDVRASDWHRV-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