General Information of the Compound
| Compound ID |
CP0425778
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| Compound Name |
ethyl 3-[(3-fluorophenyl)methyl]-5-oxo-10-[4-(trifluoromethyl)phenyl]-1,4,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-3-carboxylate
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| Structure |
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| Formula |
C25H18F4N4O3
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| Molecular Weight |
498.436
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| Canonical SMILES |
CCOC(=O)C1(Cc2cccc(F)c2)NC(=O)c2cnc3c(cnn3c12)-c1ccc(cc1)C(F)(F)F
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| InChI |
InChI=1S/C25H18F4N4O3/c1-2-36-23(35)24(11-14-4-3-5-17(26)10-14)20-19(22(34)32-24)12-30-21-18(13-31-33(20)21)15-6-8-16(9-7-15)25(27,28)29/h3-10,12-13H,2,11H2,1H3,(H,32,34)
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| InChIKey |
QRXYAFLQQMNDLQ-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