General Information of the Compound
| Compound ID |
CP0081851
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| Compound Name |
3-(4-{4-amino-6-benzylthieno[2,3-d]pyrimidin-5-yl}phenyl)-1-(3-methylphenyl)urea
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| Structure |
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| Formula |
C27H23N5OS
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| Molecular Weight |
465.582
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| Canonical SMILES |
Cc1cccc(NC(=O)Nc2ccc(cc2)-c2c(Cc3ccccc3)sc3ncnc(N)c23)c1
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| InChI |
InChI=1S/C27H23N5OS/c1-17-6-5-9-21(14-17)32-27(33)31-20-12-10-19(11-13-20)23-22(15-18-7-3-2-4-8-18)34-26-24(23)25(28)29-16-30-26/h2-14,16H,15H2,1H3,(H2,28,29,30)(H2,31,32,33)
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| InChIKey |
UKVIWMOPJDEZMM-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