General Information of the Compound
| Compound ID |
CP0519131
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| Compound Name |
(1R,2S)-1-cyclohexyl-2-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]propan-1-ol
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| Structure |
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| Formula |
C19H24N2O
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| Molecular Weight |
296.414
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| Canonical SMILES |
C[C@H]([C@H](O)C1CCCCC1)[C@H]1c2ccccc2-c2cncn12
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| InChI |
InChI=1S/C19H24N2O/c1-13(19(22)14-7-3-2-4-8-14)18-16-10-6-5-9-15(16)17-11-20-12-21(17)18/h5-6,9-14,18-19,22H,2-4,7-8H2,1H3/t13-,18-,19-/m0/s1
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| InChIKey |
LXUFCLWCRAGUAS-AGRHKRQWSA-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