General Information of the Compound
| Compound ID |
CP0513066
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| Compound Name |
6,8-dioxo-7-[(1S,2R)-2-phenylcyclopropyl]-N-(2-phenylpyrazol-3-yl)-3,4,9,9a-tetrahydro-1H-pyrazino[1,2-c]pyrimidine-2-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)N1CCN2C(C1)CC(=O)N([C@H]1C[C@@H]1c1ccccc1)C2=O
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| InChI |
InChI=1S/C26H26N6O3/c33-24-15-20-17-29(25(34)28-23-11-12-27-32(23)19-9-5-2-6-10-19)13-14-30(20)26(35)31(24)22-16-21(22)18-7-3-1-4-8-18/h1-12,20-22H,13-17H2,(H,28,34)/t20?,21-,22+/m1/s1
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| InChIKey |
RFQRRILJVOXLPN-PDQYLBCOSA-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