General Information of the Compound
| Compound ID |
CP0431298
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| Compound Name |
1,3-dioxo-2-[(1S,2R)-2-phenylcyclopropyl]-N-(2-phenylpyrazol-3-yl)-6,7,9,9a-tetrahydro-4H-pyrazino[1,2-a]pyrazine-8-carboxamide
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| Structure |
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| Formula |
C26H26N6O3
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| Molecular Weight |
470.533
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| Canonical SMILES |
O=C(Nc1ccnn1-c1ccccc1)N1CCN2CC(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)C2C1
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| InChI |
InChI=1S/C26H26N6O3/c33-24-17-29-13-14-30(26(35)28-23-11-12-27-32(23)19-9-5-2-6-10-19)16-22(29)25(34)31(24)21-15-20(21)18-7-3-1-4-8-18/h1-12,20-22H,13-17H2,(H,28,35)/t20-,21+,22?/m1/s1
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| InChIKey |
ORMFQNXSYVRSHS-LKXRKSRJSA-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