General Information of the Compound
| Compound ID |
CP0475453
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| Compound Name |
2-(6-(5-((dimethylamino)methyl)thiophen-2-yl)-2-(3-methoxyphenyl)-4-oxoquinazolin-3(4H)-yl)-N-isopropylacetamide
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| Structure |
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| Formula |
C27H30N4O3S
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| Molecular Weight |
490.629
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| Canonical SMILES |
COc1cccc(c1)-c1nc2ccc(cc2c(=O)n1CC(=O)NC(C)C)-c1ccc(CN(C)C)s1
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| InChI |
InChI=1S/C27H30N4O3S/c1-17(2)28-25(32)16-31-26(19-7-6-8-20(13-19)34-5)29-23-11-9-18(14-22(23)27(31)33)24-12-10-21(35-24)15-30(3)4/h6-14,17H,15-16H2,1-5H3,(H,28,32)
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| InChIKey |
PDTPCJSCJZWTRM-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