General Information of the Compound
| Compound ID |
CP0514058
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| Compound Name |
2-(2-Pyridin-4-yl-ethyl)-1,2,3,4,6,7,8,12c-octahydro-pyrazino[1',2':1,2]pyrido[4,3-b]indole
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| Structure |
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| Formula |
C21H24N4
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| Molecular Weight |
332.451
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| Canonical SMILES |
C(Cc1ccncc1)N1CCN2CCc3[nH]c4ccccc4c3C2C1
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| InChI |
InChI=1S/C21H24N4/c1-2-4-18-17(3-1)21-19(23-18)8-12-25-14-13-24(15-20(21)25)11-7-16-5-9-22-10-6-16/h1-6,9-10,20,23H,7-8,11-15H2
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| InChIKey |
JLPQEMCCJSONLS-UHFFFAOYSA-N
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| CAS |
73187-27-6
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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