General Information of the Compound
| Compound ID |
CP0383618
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| Compound Name |
3-(3-(6-ethyl-4-(4-(2-(3-methoxyphenoxy)acetyl)piperazin-1-yl)thieno[2,3-d]pyrimidin-2-yl)ureido)propanoic acid
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| Structure |
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| Formula |
C25H30N6O6S
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| Molecular Weight |
542.618
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| Canonical SMILES |
CCc1cc2c(nc(NC(=O)NCCC(O)=O)nc2s1)N1CCN(CC1)C(=O)COc1cccc(OC)c1
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| InChI |
InChI=1S/C25H30N6O6S/c1-3-18-14-19-22(27-24(28-23(19)38-18)29-25(35)26-8-7-21(33)34)31-11-9-30(10-12-31)20(32)15-37-17-6-4-5-16(13-17)36-2/h4-6,13-14H,3,7-12,15H2,1-2H3,(H,33,34)(H2,26,27,28,29,35)
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| InChIKey |
ZKQQDWXQTAUEOE-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