General Information of the Compound
| Compound ID |
CP0552205
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| Compound Name |
(5S)-5-cyclohexyl-5H-imidazo[5,1-a]isoindole
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| Structure |
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| Formula |
C16H18N2
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| Molecular Weight |
238.334
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| Canonical SMILES |
C1CCC(CC1)[C@H]1c2ccccc2-c2cncn12
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| InChI |
InChI=1S/C16H18N2/c1-2-6-12(7-3-1)16-14-9-5-4-8-13(14)15-10-17-11-18(15)16/h4-5,8-12,16H,1-3,6-7H2/t16-/m0/s1
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| InChIKey |
ZXUNUYPKRQCENX-INIZCTEOSA-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