General Information of the Compound
| Compound ID |
CP0552885
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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-methylpyridin-2-one
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| Structure |
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| Formula |
C31H32N6O3
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| Molecular Weight |
536.636
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| Canonical SMILES |
Cn1cc(ccc1=O)-c1ccc2nc(nc(N3CCOC[C@@H]3c3ccccc3)c2c1)-c1cnn(CC(C)(C)O)c1
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| InChI |
InChI=1S/C31H32N6O3/c1-31(2,39)20-36-18-24(16-32-36)29-33-26-11-9-22(23-10-12-28(38)35(3)17-23)15-25(26)30(34-29)37-13-14-40-19-27(37)21-7-5-4-6-8-21/h4-12,15-18,27,39H,13-14,19-20H2,1-3H3/t27-/m1/s1
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| InChIKey |
UCHKJPOMHHACJA-HHHXNRCGSA-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