General Information of the Compound
| Compound ID |
CP0102994
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| Compound Name |
7-((2-(pyrrolidin-1-yl)ethylamino)methyl)pyrrolo[1,2-a]quinoxalin-4(5H)-one
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| Structure |
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| Formula |
C18H22N4O
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| Molecular Weight |
310.401
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| Canonical SMILES |
O=c1[nH]c2cc(CNCCN3CCCC3)ccc2n2cccc12
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| InChI |
InChI=1S/C18H22N4O/c23-18-17-4-3-10-22(17)16-6-5-14(12-15(16)20-18)13-19-7-11-21-8-1-2-9-21/h3-6,10,12,19H,1-2,7-9,11,13H2,(H,20,23)
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| InChIKey |
XPSAWMZPZSEDQE-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