General Information of the Compound
| Compound ID |
CP0438720
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| Compound Name |
(1R,2S)-2-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]cyclohexan-1-ol
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| Structure |
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| Formula |
C16H18N2O
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| Molecular Weight |
254.333
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| Canonical SMILES |
O[C@@H]1CCCC[C@H]1[C@H]1c2ccccc2-c2cncn12
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| InChI |
InChI=1S/C16H18N2O/c19-15-8-4-3-7-13(15)16-12-6-2-1-5-11(12)14-9-17-10-18(14)16/h1-2,5-6,9-10,13,15-16,19H,3-4,7-8H2/t13-,15-,16-/m1/s1
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| InChIKey |
GRXLEHXBNCURNH-FVQBIDKESA-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: PT01557, Indoleamine 2,3-dioxygenase 1
Protein ID: PT02896, Tryptophan 2,3-dioxygenase