General Information of the Compound
| Compound ID |
CP0482369
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| Compound Name |
2-(4-methylpiperazin-1-yl)indolo[2,1-b]quinazoline-6,12-dione
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| Structure |
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| Formula |
C20H18N4O2
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| Molecular Weight |
346.39
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| Canonical SMILES |
CN1CCN(CC1)c1ccc2nc3C(=O)c4ccccc4-n3c(=O)c2c1
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| InChI |
InChI=1S/C20H18N4O2/c1-22-8-10-23(11-9-22)13-6-7-16-15(12-13)20(26)24-17-5-3-2-4-14(17)18(25)19(24)21-16/h2-7,12H,8-11H2,1H3
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| InChIKey |
XBHJNGFWXQBKPI-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