General Information of the Compound
| Compound ID |
CP0430300
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| Compound Name |
8-Benzoyl-2,3,4,4a-tetrahydro-1H,6H-pyrazino[1,2-a]quinoxalin-5-one
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| Structure |
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| Formula |
C18H17N3O2
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| Molecular Weight |
307.353
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| Canonical SMILES |
O=C(c1ccccc1)c1ccc2N3CCNCC3C(=O)Nc2c1
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| InChI |
InChI=1S/C18H17N3O2/c22-17(12-4-2-1-3-5-12)13-6-7-15-14(10-13)20-18(23)16-11-19-8-9-21(15)16/h1-7,10,16,19H,8-9,11H2,(H,20,23)
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| InChIKey |
GQHCFYPVCATDJM-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