General Information of the Compound
| Compound ID |
CP0519132
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| Compound Name |
(4S,5S)-5-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-1-methyl-4,5,6,7-tetrahydroindazol-4-ol
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| Structure |
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| Formula |
C18H18N4O
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| Molecular Weight |
306.369
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| Canonical SMILES |
Cn1ncc2[C@@H](O)[C@@H](CCc12)[C@H]1c2ccccc2-c2cncn12
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| InChI |
InChI=1S/C18H18N4O/c1-21-15-7-6-13(18(23)14(15)8-20-21)17-12-5-3-2-4-11(12)16-9-19-10-22(16)17/h2-5,8-10,13,17-18,23H,6-7H2,1H3/t13-,17+,18-/m0/s1
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| InChIKey |
YGZYVSXXPMBBFJ-VHSSKADRSA-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