General Information of the Compound
| Compound ID |
CP0412297
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| Compound Name |
1,1,1-trifluoro-2-(4-((R)-2-methyl-4-(2-(pyridin-3-yl)ethyl)piperazin-1-ylsulfonyl)phenyl)propan-2-ol
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| Structure |
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| Formula |
C21H26F3N3O3S
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| Molecular Weight |
457.518
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| Canonical SMILES |
C[C@@H]1CN(CCc2cccnc2)CCN1S(=O)(=O)c1ccc(cc1)C(C)(O)C(F)(F)F
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| InChI |
InChI=1S/C21H26F3N3O3S/c1-16-15-26(11-9-17-4-3-10-25-14-17)12-13-27(16)31(29,30)19-7-5-18(6-8-19)20(2,28)21(22,23)24/h3-8,10,14,16,28H,9,11-13,15H2,1-2H3/t16-,20?/m1/s1
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| InChIKey |
CHXVGBDXNRZKOE-QRIPLOBPSA-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