General Information of the Compound
| Compound ID |
CP0524453
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| Compound Name |
2-(6-(3-(azetidin-1-ylmethyl)phenyl)-2-(3-chlorophenyl)-4-oxoquinazolin-3(4H)-yl)-N-isopropylacetamide
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| Structure |
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| Formula |
C29H29ClN4O2
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| Molecular Weight |
501.03
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| Canonical SMILES |
CC(C)NC(=O)Cn1c(nc2ccc(cc2c1=O)-c1cccc(CN2CCC2)c1)-c1cccc(Cl)c1
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| InChI |
InChI=1S/C29H29ClN4O2/c1-19(2)31-27(35)18-34-28(23-8-4-9-24(30)15-23)32-26-11-10-22(16-25(26)29(34)36)21-7-3-6-20(14-21)17-33-12-5-13-33/h3-4,6-11,14-16,19H,5,12-13,17-18H2,1-2H3,(H,31,35)
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| InChIKey |
XDZXOKQGNOTMCB-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