General Information of the Compound
| Compound ID |
CP0412898
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| Compound Name |
1-(1-(4-(trifluoromethyl)benzyl)-6-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl)-3-(7-hydroxynaphthalen-1-yl)urea
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| Structure |
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| Formula |
C29H24F4N2O2
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| Molecular Weight |
508.515
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| Canonical SMILES |
Oc1ccc2cccc(NC(=O)NC3CCc4cc(F)ccc4C3Cc3ccc(cc3)C(F)(F)F)c2c1
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| InChI |
InChI=1S/C29H24F4N2O2/c30-21-10-12-23-19(15-21)7-13-27(25(23)14-17-4-8-20(9-5-17)29(31,32)33)35-28(37)34-26-3-1-2-18-6-11-22(36)16-24(18)26/h1-6,8-12,15-16,25,27,36H,7,13-14H2,(H2,34,35,37)
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| InChIKey |
OKQJAECBEIPRAR-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