General Information of the Compound
| Compound ID |
CP0524452
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| Compound Name |
2-(2-(3-chlorophenyl)-6-(3-((dimethylamino)methyl)phenyl)-4-oxoquinazolin-3(4H)-yl)-N-isopropylacetamide
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| Structure |
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| Formula |
C28H29ClN4O2
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| Molecular Weight |
489.019
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| Canonical SMILES |
CC(C)NC(=O)Cn1c(nc2ccc(cc2c1=O)-c1cccc(CN(C)C)c1)-c1cccc(Cl)c1
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| InChI |
InChI=1S/C28H29ClN4O2/c1-18(2)30-26(34)17-33-27(22-9-6-10-23(29)14-22)31-25-12-11-21(15-24(25)28(33)35)20-8-5-7-19(13-20)16-32(3)4/h5-15,18H,16-17H2,1-4H3,(H,30,34)
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| InChIKey |
HZEBTBXUOGILND-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