General Information of the Compound
Compound ID |
CP0233992
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Compound Name |
3-(3-methyl-4-oxoquinazolin-2-yl)propanoic acid
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Structure |
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Formula |
C12H12N2O3
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Molecular Weight |
232.239
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Canonical SMILES |
Cn1c(CCC(O)=O)nc2ccccc2c1=O
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InChI |
InChI=1S/C12H12N2O3/c1-14-10(6-7-11(15)16)13-9-5-3-2-4-8(9)12(14)17/h2-5H,6-7H2,1H3,(H,15,16)
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InChIKey |
UXGWMRNLTMHSST-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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ChEMBL ID |