General Information of the Compound
| Compound ID |
CP0514721
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| Compound Name |
1-(2-chlorophenyl)-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 |
C27H23ClF3N3O3
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| Molecular Weight |
529.946
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| Canonical SMILES |
Cc1[nH]n(-c2ccccc2)c(=O)c1C1(C(=O)N(C2=C1C(=O)CC(C)(C)C2)c1ccccc1Cl)C(F)(F)F
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| InChI |
InChI=1S/C27H23ClF3N3O3/c1-15-21(23(36)34(32-15)16-9-5-4-6-10-16)26(27(29,30)31)22-19(13-25(2,3)14-20(22)35)33(24(26)37)18-12-8-7-11-17(18)28/h4-12,32H,13-14H2,1-3H3
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| InChIKey |
OWACOCJGOCRHEK-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