General Information of the Compound
| Compound ID |
CP0547708
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| Compound Name |
1-[(4R)-2,2-dimethyl-7-(trifluoromethoxy)-3,4-dihydrochromen-4-yl]-3-(3-methylisoquinolin-5-yl)urea
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| Structure |
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| Formula |
C23H22F3N3O3
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| Molecular Weight |
445.441
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| Canonical SMILES |
Cc1cc2c(NC(=O)N[C@@H]3CC(C)(C)Oc4cc(OC(F)(F)F)ccc34)cccc2cn1
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| InChI |
InChI=1S/C23H22F3N3O3/c1-13-9-17-14(12-27-13)5-4-6-18(17)28-21(30)29-19-11-22(2,3)32-20-10-15(7-8-16(19)20)31-23(24,25)26/h4-10,12,19H,11H2,1-3H3,(H2,28,29,30)/t19-/m1/s1
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| InChIKey |
YJLGMMODESAVMW-LJQANCHMSA-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