General Information of the Compound
| Compound ID |
CP0505598
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| Compound Name |
6-methyl-3-(5-methyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-1-phenyl-3-(trifluoromethyl)-3,5,6,7-tetrahydro-1H-indole-2,4-dione
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| Structure |
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| Formula |
C26H22F3N3O3
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| Molecular Weight |
481.474
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| Canonical SMILES |
CC1CC2=C(C(=O)C1)C(C(=O)N2c1ccccc1)(c1c(C)[nH]n(-c2ccccc2)c1=O)C(F)(F)F
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| InChI |
InChI=1S/C26H22F3N3O3/c1-15-13-19-22(20(33)14-15)25(26(27,28)29,24(35)31(19)17-9-5-3-6-10-17)21-16(2)30-32(23(21)34)18-11-7-4-8-12-18/h3-12,15,30H,13-14H2,1-2H3
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| InChIKey |
RGIHNCPDOQLMPX-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