General Information of the Compound
| Compound ID |
CP0081852
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| Compound Name |
3-{4-[4-amino-6-(pyridin-3-ylmethyl)thieno[2,3-d]pyrimidin-5-yl]phenyl}-1-(3-methylphenyl)urea
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| Structure |
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| Formula |
C26H22N6OS
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| Molecular Weight |
466.57
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| Canonical SMILES |
Cc1cccc(NC(=O)Nc2ccc(cc2)-c2c(Cc3cccnc3)sc3ncnc(N)c23)c1
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| InChI |
InChI=1S/C26H22N6OS/c1-16-4-2-6-20(12-16)32-26(33)31-19-9-7-18(8-10-19)22-21(13-17-5-3-11-28-14-17)34-25-23(22)24(27)29-15-30-25/h2-12,14-15H,13H2,1H3,(H2,27,29,30)(H2,31,32,33)
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| InChIKey |
KNXNQDZKPNJJEY-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