General Information of the Compound
| Compound ID |
CP0547253
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| Compound Name |
1-cyclobutyl-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 |
C25H26F3N3O3
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| Molecular Weight |
473.495
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| Canonical SMILES |
Cc1[nH]n(-c2ccccc2)c(=O)c1C1(C(=O)N(C2CCC2)C2=C1C(=O)CC(C)(C)C2)C(F)(F)F
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| InChI |
InChI=1S/C25H26F3N3O3/c1-14-19(21(33)31(29-14)16-8-5-4-6-9-16)24(25(26,27)28)20-17(12-23(2,3)13-18(20)32)30(22(24)34)15-10-7-11-15/h4-6,8-9,15,29H,7,10-13H2,1-3H3
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| InChIKey |
QQOJWKYNRIHJHJ-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