General Information of the Compound
| Compound ID |
CP0327837
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| Compound Name |
(1S,2S)-7-dimethylphosphoryl-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 |
C22H23N2O2P
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| Molecular Weight |
378.412
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| Canonical SMILES |
CP(C)(=O)c1ccc2CC[C@@H]([C@H]3c4ccccc4-c4cncn34)[C@H](O)c2c1
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| InChI |
InChI=1S/C22H23N2O2P/c1-27(2,26)15-9-7-14-8-10-18(22(25)19(14)11-15)21-17-6-4-3-5-16(17)20-12-23-13-24(20)21/h3-7,9,11-13,18,21-22,25H,8,10H2,1-2H3/t18-,21+,22-/m0/s1
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| InChIKey |
RJQCTYSBEJJLJK-BWAGFHJFSA-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