General Information of the Compound
| Compound ID |
CP0461375
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| Compound Name |
5-[7-[(5R)-5-benzyl-5-methyl-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 |
C[C@@]1(Cc2ccccc2)CC(=NO1)c1ccc2c(c1)nc(CCCCC(O)=O)n(-c1ccc(F)cc1)c2=O
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| InChI |
InChI=1S/C30H28FN3O4/c1-30(18-20-7-3-2-4-8-20)19-26(33-38-30)21-11-16-24-25(17-21)32-27(9-5-6-10-28(35)36)34(29(24)37)23-14-12-22(31)13-15-23/h2-4,7-8,11-17H,5-6,9-10,18-19H2,1H3,(H,35,36)/t30-/m1/s1
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| InChIKey |
YTAUKHWHPMKCFO-SSEXGKCCSA-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