General Information of the Compound
| Compound ID |
CP0517452
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| Compound Name |
1,1,1-trifluoro-2-(4-((R)-2-methyl-4-((1-(pyridin-4-yl)cyclopentyl)methyl)piperazin-1-ylsulfonyl)phenyl)propan-2-ol
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| Structure |
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| Formula |
C25H32F3N3O3S
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| Molecular Weight |
511.61
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| Canonical SMILES |
C[C@@H]1CN(CC2(CCCC2)c2ccncc2)CCN1S(=O)(=O)c1ccc(cc1)C(C)(O)C(F)(F)F
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| InChI |
InChI=1S/C25H32F3N3O3S/c1-19-17-30(18-24(11-3-4-12-24)21-9-13-29-14-10-21)15-16-31(19)35(33,34)22-7-5-20(6-8-22)23(2,32)25(26,27)28/h5-10,13-14,19,32H,3-4,11-12,15-18H2,1-2H3/t19-,23?/m1/s1
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| InChIKey |
PTSDYTXQGBOHHD-HWYAHNCWSA-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