General Information of the Compound
| Compound ID |
CP0447580
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| Compound Name |
3-(3-(6-ethyl-4-(4-(3-phenoxypropanoyl)piperazin-1-yl)thieno[2,3-d]pyrimidin-2-yl)ureido)propanoic acid
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| Structure |
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| Formula |
C25H30N6O5S
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| Molecular Weight |
526.619
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| Canonical SMILES |
CCc1cc2c(nc(NC(=O)NCCC(O)=O)nc2s1)N1CCN(CC1)C(=O)CCOc1ccccc1
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| InChI |
InChI=1S/C25H30N6O5S/c1-2-18-16-19-22(27-24(28-23(19)37-18)29-25(35)26-10-8-21(33)34)31-13-11-30(12-14-31)20(32)9-15-36-17-6-4-3-5-7-17/h3-7,16H,2,8-15H2,1H3,(H,33,34)(H2,26,27,28,29,35)
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| InChIKey |
AHEBWSLJMXSMMY-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