General Information of the Compound
| Compound ID |
CP0480494
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| Compound Name |
3-(5-isopropyl-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 |
C29H28F3N3O3
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| Molecular Weight |
523.555
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| Canonical SMILES |
CC(C)c1[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/C29H28F3N3O3/c1-17(2)24-23(25(37)35(33-24)19-13-9-6-10-14-19)28(29(30,31)32)22-20(15-27(3,4)16-21(22)36)34(26(28)38)18-11-7-5-8-12-18/h5-14,17,33H,15-16H2,1-4H3
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| InChIKey |
IBAZJLFDEONECU-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