General Information of the Compound
| Compound ID |
CP0528739
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| Compound Name |
5-[2-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]-4-[(3S)-3-phenylmorpholin-4-yl]quinazolin-6-yl]-1,3-dimethylpyridin-2-one
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| Structure |
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| Formula |
C32H34N6O3
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| Molecular Weight |
550.663
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| Canonical SMILES |
Cc1cc(cn(C)c1=O)-c1ccc2nc(nc(N3CCOC[C@@H]3c3ccccc3)c2c1)-c1cnn(CC(C)(C)O)c1
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| InChI |
InChI=1S/C32H34N6O3/c1-21-14-24(17-36(4)31(21)39)23-10-11-27-26(15-23)30(38-12-13-41-19-28(38)22-8-6-5-7-9-22)35-29(34-27)25-16-33-37(18-25)20-32(2,3)40/h5-11,14-18,28,40H,12-13,19-20H2,1-4H3/t28-/m1/s1
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| InChIKey |
GPPKJVFEIRYRLZ-MUUNZHRXSA-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