General Information of the Compound
| Compound ID |
CP0916356
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| Compound Name |
(4E,4'E)-4,4'-bis(isopropylimino)-4',4'a-dihydro-2,2'-binaphthyl-1,1'(4H,8'aH)-dione
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| Formula |
C26H24N2O2
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| Molecular Weight |
396.49
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| Canonical SMILES |
CC(C)/N=C1/C=C(C2=C/C(=N\C(C)C)c3ccccc3C2=O)C(=O)c2ccccc21
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| InChI |
InChI=1S/C26H24N2O2/c1-15(2)27-23-13-21(25(29)19-11-7-5-9-17(19)23)22-14-24(28-16(3)4)18-10-6-8-12-20(18)26(22)30/h5-16H,1-4H3/b27-23-,28-24+
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| InChIKey |
AFJUFBZMVXNZNE-VRQWBOTBSA-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: PT03388, Indoleamine 2,3-dioxygenase 1
Protein ID: PT05447, Tryptophan 2,3-dioxygenase
Cell Viability or Cytotoxicity Assay
| Cell Line ID | Cell Line Name | Cell Line Organism | |
| CL000784 | P815B | Mus musculus (Mouse) | 1 |
| 1 |
LD50 = 50000 nM
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TI
LI
LO
TS
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