General Information of the Compound
| Compound ID |
CP0288566
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| Compound Name |
1-(4-{4-aminothieno[2,3-d]pyrimidin-5-yl}phenyl)-3-butylurea
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| Structure |
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| Formula |
C17H19N5OS
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| Molecular Weight |
341.44
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| Canonical SMILES |
CCCCNC(=O)Nc1ccc(cc1)-c1csc2ncnc(N)c12
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| InChI |
InChI=1S/C17H19N5OS/c1-2-3-8-19-17(23)22-12-6-4-11(5-7-12)13-9-24-16-14(13)15(18)20-10-21-16/h4-7,9-10H,2-3,8H2,1H3,(H2,18,20,21)(H2,19,22,23)
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| InChIKey |
ZCANFQFOKQRQAW-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