General Information of the Compound
| Compound ID |
CP0875699
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| Compound Name |
2-(4-allyl-5-((phenylamino)methyl)-4H-1,2,4-triazol-3-ylthio)-N'-(5-bromo-2-hydroxybenzylidene)propanehydrazide
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| Structure |
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| Formula |
C22H23BrN6O2S
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| Molecular Weight |
515.437
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| Canonical SMILES |
C=CCn1c(CNc2ccccc2)nnc1SC(C)C(=O)N/N=C/c1cc(Br)ccc1O
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| InChI |
InChI=1S/C22H23BrN6O2S/c1-3-11-29-20(14-24-18-7-5-4-6-8-18)26-28-22(29)32-15(2)21(31)27-25-13-16-12-17(23)9-10-19(16)30/h3-10,12-13,15,24,30H,1,11,14H2,2H3,(H,27,31)/b25-13+
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| InChIKey |
QLTGOVCHIBKWSM-DHRITJCHSA-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