General Information of the Compound
| Compound ID |
CP0565975
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| Compound Name |
5-[2-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]-4-[(3R)-3-thiophen-2-ylmorpholin-4-yl]quinazolin-6-yl]-1-methylpyridin-2-one
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| Formula |
C29H30N6O3S
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| Molecular Weight |
542.665
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| Canonical SMILES |
Cn1cc(ccc1=O)-c1ccc2nc(nc(N3CCOC[C@@H]3c3cccs3)c2c1)-c1cnn(CC(C)(C)O)c1
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| InChI |
InChI=1S/C29H30N6O3S/c1-29(2,37)18-34-16-21(14-30-34)27-31-23-8-6-19(20-7-9-26(36)33(3)15-20)13-22(23)28(32-27)35-10-11-38-17-24(35)25-5-4-12-39-25/h4-9,12-16,24,37H,10-11,17-18H2,1-3H3/t24-/m1/s1
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| InChIKey |
LUBQVUAOCSCIIB-XMMPIXPASA-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