General Information of the Compound
| Compound ID |
CP0514603
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| Compound Name |
1-(2-spiro[2H-indole-3,1'-cyclopentane]-1-ylphenyl)-3-[4-(trifluoromethoxy)phenyl]urea
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| Structure |
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| Formula |
C26H24F3N3O2
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| Molecular Weight |
467.491
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| Canonical SMILES |
FC(F)(F)Oc1ccc(NC(=O)Nc2ccccc2N2CC3(CCCC3)c3ccccc23)cc1
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| InChI |
InChI=1S/C26H24F3N3O2/c27-26(28,29)34-19-13-11-18(12-14-19)30-24(33)31-21-8-2-4-10-23(21)32-17-25(15-5-6-16-25)20-7-1-3-9-22(20)32/h1-4,7-14H,5-6,15-17H2,(H2,30,31,33)
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| InChIKey |
VLVYGPOBUIHHAE-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