General Information of the Compound
| Compound ID |
CP0254866
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| Compound Name |
BMS-823778
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| Synonyms |
BMS-823778
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| Structure |
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| Formula |
C18H18ClN3O
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| Molecular Weight |
327.815
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| Canonical SMILES |
CC(C)(O)c1cccn2c(nnc12)C1(CC1)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C18H18ClN3O/c1-17(2,23)14-4-3-11-22-15(14)20-21-16(22)18(9-10-18)12-5-7-13(19)8-6-12/h3-8,11,23H,9-10H2,1-2H3
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| InChIKey |
PTIFVLOBVCIMKL-UHFFFAOYSA-N
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| CAS |
1140897-32-0
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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
Clinical Information about the Compound