General Information of the Compound
| Compound ID |
CP0102988
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| Compound Name |
8-(pyrrolidin-1-ylmethyl)pyrrolo[1,2-a]quinoxalin-4(5H)-one
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| Structure |
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| Formula |
C16H17N3O
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| Molecular Weight |
267.332
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| Canonical SMILES |
O=c1[nH]c2ccc(CN3CCCC3)cc2n2cccc12
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| InChI |
InChI=1S/C16H17N3O/c20-16-14-4-3-9-19(14)15-10-12(5-6-13(15)17-16)11-18-7-1-2-8-18/h3-6,9-10H,1-2,7-8,11H2,(H,17,20)
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| InChIKey |
PCWMEZNUFYUIRN-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