General Information of the Compound
| Compound ID |
CP0009510
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| Compound Name |
5-(2,4-diaminopyrimidin-5-yl)oxy-2-methoxy-4-propan-2-ylbenzoic acid
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| Structure |
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| Formula |
C15H18N4O4
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| Molecular Weight |
318.333
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| Canonical SMILES |
COc1cc(C(C)C)c(Oc2cnc(N)nc2N)cc1C(O)=O
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| InChI |
InChI=1S/C15H18N4O4/c1-7(2)8-4-10(22-3)9(14(20)21)5-11(8)23-12-6-18-15(17)19-13(12)16/h4-7H,1-3H3,(H,20,21)(H4,16,17,18,19)
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| InChIKey |
UMZMQINYOLOMAX-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