General Information of the Compound
| Compound ID |
CP0663818
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| Compound Name |
1-[3-(4-Amino-benzo[4,5]thieno[3,2-d]pyrimidin-7-yl)-phenyl]-3-ethyl-urea
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| Structure |
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| Formula |
C19H17N5OS
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| Molecular Weight |
363.446
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| Canonical SMILES |
CCNC(=O)Nc1cccc(-c2ccc3c(c2)sc2c(N)ncnc23)c1
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| InChI |
InChI=1S/C19H17N5OS/c1-2-21-19(25)24-13-5-3-4-11(8-13)12-6-7-14-15(9-12)26-17-16(14)22-10-23-18(17)20/h3-10H,2H2,1H3,(H2,20,22,23)(H2,21,24,25)
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| InChIKey |
XKNKSXHITXPWPU-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