General Information of the Compound
| Compound ID |
CP0494635
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| Compound Name |
1-cyclopentyl-6,6-dimethyl-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 |
C26H28F3N3O3
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| Molecular Weight |
487.522
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| Canonical SMILES |
Cc1[nH]n(-c2ccccc2)c(=O)c1C1(C(=O)N(C2CCCC2)C2=C1C(=O)CC(C)(C)C2)C(F)(F)F
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| InChI |
InChI=1S/C26H28F3N3O3/c1-15-20(22(34)32(30-15)17-11-5-4-6-12-17)25(26(27,28)29)21-18(13-24(2,3)14-19(21)33)31(23(25)35)16-9-7-8-10-16/h4-6,11-12,16,30H,7-10,13-14H2,1-3H3
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| InChIKey |
LZKNKGJVMIBSLT-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