General Information of the Compound
| Compound ID |
CP0242055
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| Compound Name |
2-(3-chloro-4-(5-(1-(4-chlorophenyl)-3-fluorocyclobutyl)-4-methyl-4H-1,2,4-triazol-3-yl)phenyl)pyrazine
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| Structure |
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| Formula |
C23H18Cl2FN5
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| Molecular Weight |
454.336
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| Canonical SMILES |
Cn1c(nnc1C1(CC(F)C1)c1ccc(Cl)cc1)-c1ccc(cc1Cl)-c1cnccn1
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| InChI |
InChI=1S/C23H18Cl2FN5/c1-31-21(18-7-2-14(10-19(18)25)20-13-27-8-9-28-20)29-30-22(31)23(11-17(26)12-23)15-3-5-16(24)6-4-15/h2-10,13,17H,11-12H2,1H3
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| InChIKey |
QYSSEJDAEHAKCS-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
Protein ID: PT01109, 11-beta-hydroxysteroid dehydrogenase 1
Protein ID: PT01107, 11-beta-hydroxysteroid dehydrogenase 1