General Information of the Compound
| Compound ID |
CP0502874
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| Compound Name |
3-(4-Acetyl-phenyl)-2-(5-morpholin-4-yl-4-pyridin-4-yl-thiophen-2-yl)-3H-quinazolin-4-one
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| Structure |
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| Formula |
C29H24N4O3S
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| Molecular Weight |
508.603
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| Canonical SMILES |
CC(=O)c1ccc(cc1)-n1c(nc2ccccc2c1=O)-c1cc(c(s1)N1CCOCC1)-c1ccncc1
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| InChI |
InChI=1S/C29H24N4O3S/c1-19(34)20-6-8-22(9-7-20)33-27(31-25-5-3-2-4-23(25)28(33)35)26-18-24(21-10-12-30-13-11-21)29(37-26)32-14-16-36-17-15-32/h2-13,18H,14-17H2,1H3
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| InChIKey |
RAJQBCXLPLDSMH-UHFFFAOYSA-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