General Information of the Compound
| Compound ID |
CP0247593
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| Compound Name |
3-Adamantan-1-yl-4-methyl-5-phenyl-4H-[1,2,4]triazole
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| Synonyms |
BDBM50239276
CHEMBL428429
FIG 1
SCHEMBL5095865
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| Structure |
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| Formula |
C19H23N3
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| Molecular Weight |
293.414
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| Canonical SMILES |
Cn1c(nnc1C12CC3CC(CC(C3)C1)C2)-c1ccccc1
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| InChI |
InChI=1S/C19H23N3/c1-22-17(16-5-3-2-4-6-16)20-21-18(22)19-10-13-7-14(11-19)9-15(8-13)12-19/h2-6,13-15H,7-12H2,1H3
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| InChIKey |
SPLKSRDVCTUAGF-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
Protein ID: PT01108, 11-beta-hydroxysteroid dehydrogenase type 2
Clinical Information about the Compound