General Information of the Compound
| Compound ID |
CP0508839
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| Compound Name |
(2S)-2-[[2-methoxy-6-(3-methoxyphenyl)pyrimidin-4-yl]amino]-3-(4-methoxyphenyl)propanoic acid
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| Structure |
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| Formula |
C22H23N3O5
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| Molecular Weight |
409.442
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| Canonical SMILES |
COc1ccc(C[C@H](Nc2cc(nc(OC)n2)-c2cccc(OC)c2)C(O)=O)cc1
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| InChI |
InChI=1S/C22H23N3O5/c1-28-16-9-7-14(8-10-16)11-19(21(26)27)23-20-13-18(24-22(25-20)30-3)15-5-4-6-17(12-15)29-2/h4-10,12-13,19H,11H2,1-3H3,(H,26,27)(H,23,24,25)/t19-/m0/s1
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| InChIKey |
JIPFGDSGYZHZQZ-IBGZPJMESA-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