General Information of the Compound
| Compound ID |
CP0576153
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| Compound Name |
N-[[5-tert-butyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]methyl]-2-(2,3-dihydro-1H-inden-5-yl)acetamide
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| Structure |
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| Formula |
C26H28F3N3O
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| Molecular Weight |
455.524
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| Canonical SMILES |
CC(C)(C)c1cc(CNC(=O)Cc2ccc3CCCc3c2)n(n1)-c1cccc(c1)C(F)(F)F
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| InChI |
InChI=1S/C26H28F3N3O/c1-25(2,3)23-15-22(32(31-23)21-9-5-8-20(14-21)26(27,28)29)16-30-24(33)13-17-10-11-18-6-4-7-19(18)12-17/h5,8-12,14-15H,4,6-7,13,16H2,1-3H3,(H,30,33)
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| InChIKey |
CDVATVJSTMFIJW-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