General Information of the Compound
| Compound ID |
CP0231087
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| Compound Name |
3-(pyrrolidin-1-ylmethyl)-7,8,9,10-tetrahydro-5H-pyrido[1,2-a]quinoxalin-6(6aH)-one
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| Structure |
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| Formula |
C17H23N3O
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| Molecular Weight |
285.391
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| Canonical SMILES |
O=C1Nc2cc(CN3CCCC3)ccc2N2CCCCC12
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| InChI |
InChI=1S/C17H23N3O/c21-17-16-5-1-2-10-20(16)15-7-6-13(11-14(15)18-17)12-19-8-3-4-9-19/h6-7,11,16H,1-5,8-10,12H2,(H,18,21)
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| InChIKey |
CFSCMJAXYYFBFU-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