General Information of the Compound
| Compound ID |
CP0498433
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| Compound Name |
3-[6-[2-(2,4-difluorophenyl)ethylamino]-2-methoxypyrimidin-4-yl]benzoic acid
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| Structure |
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| Formula |
C20H17F2N3O3
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| Molecular Weight |
385.37
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| Canonical SMILES |
COc1nc(NCCc2ccc(F)cc2F)cc(n1)-c1cccc(c1)C(O)=O
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| InChI |
InChI=1S/C20H17F2N3O3/c1-28-20-24-17(13-3-2-4-14(9-13)19(26)27)11-18(25-20)23-8-7-12-5-6-15(21)10-16(12)22/h2-6,9-11H,7-8H2,1H3,(H,26,27)(H,23,24,25)
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| InChIKey |
ZINBWMRNPGUNCM-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