General Information of the Compound
| Compound ID |
CP0461325
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| Compound Name |
5-[7-(5-ethyl-5-phenyl-4H-1,2-oxazol-3-yl)-3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]pentanoic acid
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| Structure |
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| Formula |
C30H28FN3O4
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| Molecular Weight |
513.569
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| Canonical SMILES |
CCC1(CC(=NO1)c1ccc2c(c1)nc(CCCCC(O)=O)n(-c1ccc(F)cc1)c2=O)c1ccccc1
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| InChI |
InChI=1S/C30H28FN3O4/c1-2-30(21-8-4-3-5-9-21)19-26(33-38-30)20-12-17-24-25(18-20)32-27(10-6-7-11-28(35)36)34(29(24)37)23-15-13-22(31)14-16-23/h3-5,8-9,12-18H,2,6-7,10-11,19H2,1H3,(H,35,36)
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| InChIKey |
RLQULLBVISOPQL-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