General Information of the Compound
| Compound ID |
CP0141531
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| Compound Name |
3-{4-[4-amino-6-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-5-yl]phenyl}-1-(3-methylphenyl)urea
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| Structure |
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| Formula |
C25H26N6O2S
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| Molecular Weight |
474.59
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| Canonical SMILES |
Cc1cccc(NC(=O)Nc2ccc(cc2)-c2c(CN3CCOCC3)sc3ncnc(N)c23)c1
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| InChI |
InChI=1S/C25H26N6O2S/c1-16-3-2-4-19(13-16)30-25(32)29-18-7-5-17(6-8-18)21-20(14-31-9-11-33-12-10-31)34-24-22(21)23(26)27-15-28-24/h2-8,13,15H,9-12,14H2,1H3,(H2,26,27,28)(H2,29,30,32)
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| InChIKey |
TXHCSJVBIFJCLK-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