General Information of the Compound
| Compound ID |
CP0558438
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| Compound Name |
6-(2-aminopyrimidin-4-yl)-2-[(3S,4R)-4-phenylpyrrolidin-3-yl]-3H-quinazolin-4-one
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| Structure |
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| Formula |
C22H20N6O
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| Molecular Weight |
384.443
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| Canonical SMILES |
Nc1nccc(n1)-c1ccc2nc([nH]c(=O)c2c1)[C@@H]1CNC[C@H]1c1ccccc1
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| InChI |
InChI=1S/C22H20N6O/c23-22-25-9-8-18(27-22)14-6-7-19-15(10-14)21(29)28-20(26-19)17-12-24-11-16(17)13-4-2-1-3-5-13/h1-10,16-17,24H,11-12H2,(H2,23,25,27)(H,26,28,29)/t16-,17+/m0/s1
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| InChIKey |
PUSXOXAIZFRKOX-DLBZAZTESA-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