General Information of the Compound
| Compound ID |
CP0462096
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| Compound Name |
(1S,2S)-2-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-6-methylsulfonyl-1,2,3,4-tetrahydronaphthalen-1-ol
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| Structure |
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| Formula |
C21H20N2O3S
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| Molecular Weight |
380.469
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| Canonical SMILES |
CS(=O)(=O)c1ccc2[C@@H](O)[C@@H](CCc2c1)[C@H]1c2ccccc2-c2cncn12
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| InChI |
InChI=1S/C21H20N2O3S/c1-27(25,26)14-7-9-15-13(10-14)6-8-18(21(15)24)20-17-5-3-2-4-16(17)19-11-22-12-23(19)20/h2-5,7,9-12,18,20-21,24H,6,8H2,1H3/t18-,20+,21+/m0/s1
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| InChIKey |
SPNPSWWBNNKCPN-CEWLAPEOSA-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