General Information of the Compound
| Compound ID |
CP0447396
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| Compound Name |
5-[(7S,9aS)-2-[2-[6-(tetrazol-1-yl)pyridin-3-yl]acetyl]-1,3,4,6,7,8,9,9a-octahydropyrazino[1,2-a]pyrazin-7-yl]-4-methyl-3H-2-benzofuran-1-one
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| Structure |
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| Formula |
C24H26N8O3
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| Molecular Weight |
474.525
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| Canonical SMILES |
Cc1c2COC(=O)c2ccc1[C@H]1CN2CCN(C[C@@H]2CN1)C(=O)Cc1ccc(nc1)-n1cnnn1
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| InChI |
InChI=1S/C24H26N8O3/c1-15-18(3-4-19-20(15)13-35-24(19)34)21-12-30-6-7-31(11-17(30)10-25-21)23(33)8-16-2-5-22(26-9-16)32-14-27-28-29-32/h2-5,9,14,17,21,25H,6-8,10-13H2,1H3/t17-,21+/m0/s1
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| InChIKey |
SDODBDMSHPFEKL-LAUBAEHRSA-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
Protein ID: PT03667, ATP-sensitive inward rectifier potassium channel 1
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2