General Information of the Compound
| Compound ID |
CP0533196
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| Compound Name |
N-(2-hydroxyethyl)-1-(1H-indazol-5-ylsulfonyl)-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
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| Structure |
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| Formula |
C23H25F3N4O4S
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| Molecular Weight |
510.538
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| Canonical SMILES |
OCCN(Cc1ccccc1C(F)(F)F)C(=O)C1CCN(CC1)S(=O)(=O)c1ccc2[nH]ncc2c1
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| InChI |
InChI=1S/C23H25F3N4O4S/c24-23(25,26)20-4-2-1-3-17(20)15-29(11-12-31)22(32)16-7-9-30(10-8-16)35(33,34)19-5-6-21-18(13-19)14-27-28-21/h1-6,13-14,16,31H,7-12,15H2,(H,27,28)
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| InChIKey |
WRLNAYBIMCBHPM-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