General Information of the Compound
| Compound ID |
CP0545236
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| Compound Name |
1-[2-[[2-(3,3-dimethylbutyl)-3,4-dihydro-1H-isoquinolin-5-yl]oxy]pyridin-3-yl]-3-[4-(trifluoromethoxy)phenyl]urea
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| Structure |
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| Formula |
C28H31F3N4O3
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| Molecular Weight |
528.575
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| Canonical SMILES |
CC(C)(C)CCN1CCc2c(C1)cccc2Oc1ncccc1NC(=O)Nc1ccc(OC(F)(F)F)cc1
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| InChI |
InChI=1S/C28H31F3N4O3/c1-27(2,3)14-17-35-16-13-22-19(18-35)6-4-8-24(22)37-25-23(7-5-15-32-25)34-26(36)33-20-9-11-21(12-10-20)38-28(29,30)31/h4-12,15H,13-14,16-18H2,1-3H3,(H2,33,34,36)
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| InChIKey |
CYVNFPFWQDJUSR-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