General Information of the Compound
| Compound ID |
CP0339686
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| Compound Name |
1-(4-(4-amino-7-(3-(methylcarbamoyl)phenyl)thieno[3,2-c]pyridin-3-yl)phenyl)-3-m-tolylurea
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| Structure |
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| Formula |
C29H25N5O2S
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| Molecular Weight |
507.619
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| Canonical SMILES |
CNC(=O)c1cccc(c1)-c1cnc(N)c2c(csc12)-c1ccc(NC(=O)Nc2cccc(C)c2)cc1
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| InChI |
InChI=1S/C29H25N5O2S/c1-17-5-3-8-22(13-17)34-29(36)33-21-11-9-18(10-12-21)24-16-37-26-23(15-32-27(30)25(24)26)19-6-4-7-20(14-19)28(35)31-2/h3-16H,1-2H3,(H2,30,32)(H,31,35)(H2,33,34,36)
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| InChIKey |
NQRHVKHSCRMNFY-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