General Information of the Compound
| Compound ID |
CP0384412
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| Compound Name |
ethyl 4-[8-fluoro-2-(4-methylpiperazin-1-yl)-4-oxoquinazolin-3-yl]benzoate
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| Structure |
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| Formula |
C22H23FN4O3
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| Molecular Weight |
410.449
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| Canonical SMILES |
CCOC(=O)c1ccc(cc1)-n1c(nc2c(F)cccc2c1=O)N1CCN(C)CC1
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| InChI |
InChI=1S/C22H23FN4O3/c1-3-30-21(29)15-7-9-16(10-8-15)27-20(28)17-5-4-6-18(23)19(17)24-22(27)26-13-11-25(2)12-14-26/h4-10H,3,11-14H2,1-2H3
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| InChIKey |
CWWQSIMFILOCDI-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