General Information of the Compound
| Compound ID |
CP0547252
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| Compound Name |
1,6,6-trimethyl-3-(5-methyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-3-(trifluoromethyl)-3,5,6,7-tetrahydro-1H-indole-2,4-dione
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| Structure |
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| Formula |
C22H22F3N3O3
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| Molecular Weight |
433.43
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| Canonical SMILES |
CN1C2=C(C(=O)CC(C)(C)C2)C(C1=O)(c1c(C)[nH]n(-c2ccccc2)c1=O)C(F)(F)F
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| InChI |
InChI=1S/C22H22F3N3O3/c1-12-16(18(30)28(26-12)13-8-6-5-7-9-13)21(22(23,24)25)17-14(27(4)19(21)31)10-20(2,3)11-15(17)29/h5-9,26H,10-11H2,1-4H3
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| InChIKey |
CGGUJOHFSCOJKD-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