General Information of the Compound
| Compound ID |
CP0165568
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| Compound Name |
(3S,4S)-4-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-1-methylsulfonylpiperidin-3-ol
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| Structure |
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| Formula |
C16H19N3O3S
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| Molecular Weight |
333.413
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| Canonical SMILES |
CS(=O)(=O)N1CC[C@@H]([C@H]2c3ccccc3-c3cncn23)[C@H](O)C1
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| InChI |
InChI=1S/C16H19N3O3S/c1-23(21,22)18-7-6-13(15(20)9-18)16-12-5-3-2-4-11(12)14-8-17-10-19(14)16/h2-5,8,10,13,15-16,20H,6-7,9H2,1H3/t13-,15-,16-/m1/s1
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| InChIKey |
KKRXKQRJBWDZAY-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