General Information of the Compound
| Compound ID |
CP0494638
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| Compound Name |
3-(5-ethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-6,6-dimethyl-1-phenyl-3-(trifluoromethyl)-3,5,6,7-tetrahydro-1H-indole-2,4-dione
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| Structure |
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| Formula |
C28H26F3N3O3
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| Molecular Weight |
509.528
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| Canonical SMILES |
CCc1[nH]n(-c2ccccc2)c(=O)c1C1(C(=O)N(C2=C1C(=O)CC(C)(C)C2)c1ccccc1)C(F)(F)F
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| InChI |
InChI=1S/C28H26F3N3O3/c1-4-19-22(24(36)34(32-19)18-13-9-6-10-14-18)27(28(29,30)31)23-20(15-26(2,3)16-21(23)35)33(25(27)37)17-11-7-5-8-12-17/h5-14,32H,4,15-16H2,1-3H3
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| InChIKey |
CWKSSAUPQAOVRF-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