General Information of the Compound
| Compound ID |
CP0102036
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| Compound Name |
1-cyclohexyl-2-(5H-triazolo[5,1-a]isoindol-5-yl)ethanol
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| Structure |
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| Formula |
C17H21N3O
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| Molecular Weight |
283.375
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| Canonical SMILES |
OC(CC1c2ccccc2-c2cnnn12)C1CCCCC1
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| InChI |
InChI=1S/C17H21N3O/c21-17(12-6-2-1-3-7-12)10-15-13-8-4-5-9-14(13)16-11-18-19-20(15)16/h4-5,8-9,11-12,15,17,21H,1-3,6-7,10H2
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| InChIKey |
HIWSAOOCFITISA-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