General Information of the Compound
| Compound ID |
CP0372439
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| Compound Name |
(2S,5R)-1-(3-chloropyridin-2-yl)-4-(3,4-dichlorophenyl)sulfonyl-2,5-dimethylpiperazine
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| Structure |
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| Formula |
C17H18Cl3N3O2S
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| Molecular Weight |
434.776
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| Canonical SMILES |
C[C@H]1CN([C@H](C)CN1c1ncccc1Cl)S(=O)(=O)c1ccc(Cl)c(Cl)c1
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| InChI |
InChI=1S/C17H18Cl3N3O2S/c1-11-10-23(26(24,25)13-5-6-14(18)16(20)8-13)12(2)9-22(11)17-15(19)4-3-7-21-17/h3-8,11-12H,9-10H2,1-2H3/t11-,12+/m0/s1
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| InChIKey |
TXSIPQBRINKQKK-NWDGAFQWSA-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: PT01107, 11-beta-hydroxysteroid dehydrogenase 1
Protein ID: PT01109, 11-beta-hydroxysteroid dehydrogenase 1