General Information of the Compound
| Compound ID |
CP0494643
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| Compound Name |
6,6-dimethyl-3-[5-methyl-3-oxo-2-(4-phenoxyphenyl)-2,3-dihydro-1H-pyrazol-4-yl]-1-phenyl-3-(trifluoromethyl)-3,5,6,7-tetrahydro-1H-indole-2,4-dione
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| Structure |
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| Formula |
C33H28F3N3O4
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| Molecular Weight |
587.598
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| Canonical SMILES |
Cc1[nH]n(-c2ccc(Oc3ccccc3)cc2)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/C33H28F3N3O4/c1-20-27(29(41)39(37-20)22-14-16-24(17-15-22)43-23-12-8-5-9-13-23)32(33(34,35)36)28-25(18-31(2,3)19-26(28)40)38(30(32)42)21-10-6-4-7-11-21/h4-17,37H,18-19H2,1-3H3
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| InChIKey |
OAWGHDMXHHNCLN-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