General Information of the Compound
| Compound ID |
CP0424946
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| Compound Name |
N-(4-chlorophenyl)-2-[2-methyl-6-(trifluoromethyl)spiro[1H-isoindole-3,4'-cyclohexane]-1'-yl]propanamide
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| Formula |
C24H26ClF3N2O
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| Molecular Weight |
450.932
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| Canonical SMILES |
CC(C1CCC2(CC1)N(C)Cc1cc(ccc21)C(F)(F)F)C(=O)Nc1ccc(Cl)cc1
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| InChI |
InChI=1S/C24H26ClF3N2O/c1-15(22(31)29-20-6-4-19(25)5-7-20)16-9-11-23(12-10-16)21-8-3-18(24(26,27)28)13-17(21)14-30(23)2/h3-8,13,15-16H,9-12,14H2,1-2H3,(H,29,31)
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| InChIKey |
HNDYVJCGAPHEQO-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
Protein ID: PT01557, Indoleamine 2,3-dioxygenase 1
Protein ID: PT02896, Tryptophan 2,3-dioxygenase