General Information of the Compound
| Compound ID |
CP0492024
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| Compound Name |
2-[(dimethylamino)methyl]-8-fluoroindolo[2,1-b]quinazoline-6,12-dione
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| Structure |
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| Formula |
C18H14FN3O2
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| Molecular Weight |
323.327
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| Canonical SMILES |
CN(C)Cc1ccc2nc3C(=O)c4cc(F)ccc4-n3c(=O)c2c1
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| InChI |
InChI=1S/C18H14FN3O2/c1-21(2)9-10-3-5-14-12(7-10)18(24)22-15-6-4-11(19)8-13(15)16(23)17(22)20-14/h3-8H,9H2,1-2H3
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| InChIKey |
QEMBAUOTJNSDTQ-UHFFFAOYSA-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: PT03341, Indoleamine 2,3-dioxygenase 2
Protein ID: PT02896, Tryptophan 2,3-dioxygenase