General Information of the Compound
| Compound ID |
CP0750708
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| Compound Name |
(S)-3-(3-hydroxy-6-(methoxymethyl)-4-oxo-4H-pyran-2-yl)-3-(1-isobutyl-2-oxo-1,2-dihydroquinolin-3-yl)propanamide
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| Structure |
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| Formula |
C23H26N2O6
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| Molecular Weight |
426.469
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| Canonical SMILES |
COCc1cc(=O)c(O)c([C@@H](CC(N)=O)c2cc3ccccc3n(CC(C)C)c2=O)o1
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| InChI |
InChI=1S/C23H26N2O6/c1-13(2)11-25-18-7-5-4-6-14(18)8-17(23(25)29)16(10-20(24)27)22-21(28)19(26)9-15(31-22)12-30-3/h4-9,13,16,28H,10-12H2,1-3H3,(H2,24,27)/t16-/m0/s1
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| InChIKey |
BUKHVVBFVFAEGA-INIZCTEOSA-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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