General Information of the Compound
| Compound ID |
CP0221520
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| Compound Name |
3-(4-pentylbicyclo[2.2.2]octan-1-yl)-5,6,7,8,9,10-hexahydro-[1,2,4]triazolo[4,3-a]azocine
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| Structure |
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| Formula |
C21H35N3
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| Molecular Weight |
329.532
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| Canonical SMILES |
CCCCCC12CCC(CC1)(CC2)c1nnc2CCCCCCn12
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| InChI |
InChI=1S/C21H35N3/c1-2-3-7-10-20-11-14-21(15-12-20,16-13-20)19-23-22-18-9-6-4-5-8-17-24(18)19/h2-17H2,1H3
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| InChIKey |
HISKJZZJMYSEGO-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
Protein ID: PT01111, 11-beta-hydroxysteroid dehydrogenase type 2