General Information of the Compound
| Compound ID |
CP0498691
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| Compound Name |
2-(6-(3-(azetidin-1-ylmethyl)phenyl)-4-oxo-2-phenylquinazolin-3(4H)-yl)-N-tert-butylacetamide
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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)(C)NC(=O)Cn1c(nc2ccc(cc2c1=O)-c1cccc(CN2CCC2)c1)-c1ccccc1
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| InChI |
InChI=1S/C30H32N4O2/c1-30(2,3)32-27(35)20-34-28(22-10-5-4-6-11-22)31-26-14-13-24(18-25(26)29(34)36)23-12-7-9-21(17-23)19-33-15-8-16-33/h4-7,9-14,17-18H,8,15-16,19-20H2,1-3H3,(H,32,35)
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| InChIKey |
BWYSDXZWYSCBNG-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