General Information of the Compound
| Compound ID |
CP0073847
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| Compound Name |
3-{3-[4-(4-Amino-6-methyl-thieno[2,3-d]pyrimidin-5-yl)-phenyl]-ureido}-benzoic acid ethyl ester
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| Structure |
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| Formula |
C23H21N5O3S
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| Molecular Weight |
447.52
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| Canonical SMILES |
CCOC(=O)c1cccc(NC(=O)Nc2ccc(cc2)-c2c(C)sc3ncnc(N)c23)c1
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| InChI |
InChI=1S/C23H21N5O3S/c1-3-31-22(29)15-5-4-6-17(11-15)28-23(30)27-16-9-7-14(8-10-16)18-13(2)32-21-19(18)20(24)25-12-26-21/h4-12H,3H2,1-2H3,(H2,24,25,26)(H2,27,28,30)
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| InChIKey |
ZPSOPISMMLGQIU-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