General Information of the Compound
| Compound ID |
CP0420665
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| Compound Name |
8-fluoro-2-(piperazin-1-ylmethyl)indolo[2,1-b]quinazoline-6,12-dione
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| Structure |
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| Formula |
C20H17FN4O2
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| Molecular Weight |
364.38
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| Canonical SMILES |
Fc1ccc-2c(c1)C(=O)c1nc3ccc(CN4CCNCC4)cc3c(=O)n-21
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| InChI |
InChI=1S/C20H17FN4O2/c21-13-2-4-17-15(10-13)18(26)19-23-16-3-1-12(9-14(16)20(27)25(17)19)11-24-7-5-22-6-8-24/h1-4,9-10,22H,5-8,11H2
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| InChIKey |
QAPKRPGAKVBFCQ-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