General Information of the Compound
| Compound ID |
CP0395522
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| Compound Name |
5-[7-(5,5-diphenyl-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 |
C34H28FN3O4
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| Molecular Weight |
561.613
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| Canonical SMILES |
OC(=O)CCCCc1nc2cc(ccc2c(=O)n1-c1ccc(F)cc1)C1=NOC(C1)(c1ccccc1)c1ccccc1
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| InChI |
InChI=1S/C34H28FN3O4/c35-26-16-18-27(19-17-26)38-31(13-7-8-14-32(39)40)36-29-21-23(15-20-28(29)33(38)41)30-22-34(42-37-30,24-9-3-1-4-10-24)25-11-5-2-6-12-25/h1-6,9-12,15-21H,7-8,13-14,22H2,(H,39,40)
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| InChIKey |
QPCOEEAJSKGDFA-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