General Information of the Compound
| Compound ID |
CP0504627
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| Compound Name |
2-(6-(3-(azetidin-1-ylmethyl)phenyl)-4-oxo-2-phenylquinazolin-3(4H)-yl)-N-isobutylacetamide
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| Structure |
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| Formula |
C30H32N4O2
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| Molecular Weight |
480.612
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| Canonical SMILES |
CC(C)CNC(=O)Cn1c(nc2ccc(cc2c1=O)-c1cccc(CN2CCC2)c1)-c1ccccc1
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| InChI |
InChI=1S/C30H32N4O2/c1-21(2)18-31-28(35)20-34-29(23-9-4-3-5-10-23)32-27-13-12-25(17-26(27)30(34)36)24-11-6-8-22(16-24)19-33-14-7-15-33/h3-6,8-13,16-17,21H,7,14-15,18-20H2,1-2H3,(H,31,35)
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| InChIKey |
RFBLZJZIHZFPLV-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