General Information of the Compound
| Compound ID |
CP0238103
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| Compound Name |
(1S,2S)-2-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-1,2,3,4-tetrahydronaphthalen-1-ol
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| Structure |
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| Formula |
C20H18N2O
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| Molecular Weight |
302.377
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| Canonical SMILES |
O[C@H]1[C@@H](CCc2ccccc12)[C@H]1c2ccccc2-c2cncn12
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| InChI |
InChI=1S/C20H18N2O/c23-20-14-6-2-1-5-13(14)9-10-17(20)19-16-8-4-3-7-15(16)18-11-21-12-22(18)19/h1-8,11-12,17,19-20,23H,9-10H2/t17-,19+,20+/m0/s1
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| InChIKey |
VKUCRVDZHQWVKF-DFQSSKMNSA-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