General Information of the Compound
| Compound ID |
CP0503236
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| Compound Name |
2-(1,3-Dioxo-1,3-dihydro-isoindol-2-ylmethyl)-4-phenyl-quinoline-3-carboxylic acid 3,5-bis-trifluoromethyl-benzylamide
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| Structure |
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| Formula |
C34H21F6N3O3
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| Molecular Weight |
633.548
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| Canonical SMILES |
FC(F)(F)c1cc(CNC(=O)c2c(CN3C(=O)c4ccccc4C3=O)nc3ccccc3c2-c2ccccc2)cc(c1)C(F)(F)F
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| InChI |
InChI=1S/C34H21F6N3O3/c35-33(36,37)21-14-19(15-22(16-21)34(38,39)40)17-41-30(44)29-27(18-43-31(45)23-10-4-5-11-24(23)32(43)46)42-26-13-7-6-12-25(26)28(29)20-8-2-1-3-9-20/h1-16H,17-18H2,(H,41,44)
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| InChIKey |
TZBLHTJIWAJSOK-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