General Information of the Compound
| Compound ID |
CP0034675
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| Compound Name |
3-(4-{4-amino-6-methylthieno[2,3-d]pyrimidin-5-yl}phenyl)-1-phenylurea
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| Structure |
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| Formula |
C20H17N5OS
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| Molecular Weight |
375.457
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| Canonical SMILES |
Cc1sc2ncnc(N)c2c1-c1ccc(NC(=O)Nc2ccccc2)cc1
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| InChI |
InChI=1S/C20H17N5OS/c1-12-16(17-18(21)22-11-23-19(17)27-12)13-7-9-15(10-8-13)25-20(26)24-14-5-3-2-4-6-14/h2-11H,1H3,(H2,21,22,23)(H2,24,25,26)
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| InChIKey |
LIEYHNMAMBIXPW-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