General Information of the Compound
| Compound ID |
CP0176330
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| Compound Name |
1-[4-[4-amino-7-[3-(dimethylamino)prop-1-ynyl]thieno[3,2-c]pyridin-3-yl]phenyl]-3-(3-methylphenyl)urea
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| Structure |
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| Formula |
C26H25N5OS
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| Molecular Weight |
455.587
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| Canonical SMILES |
CN(C)CC#Cc1cnc(N)c2c(csc12)-c1ccc(NC(=O)Nc2cccc(C)c2)cc1
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| InChI |
InChI=1S/C26H25N5OS/c1-17-6-4-8-21(14-17)30-26(32)29-20-11-9-18(10-12-20)22-16-33-24-19(7-5-13-31(2)3)15-28-25(27)23(22)24/h4,6,8-12,14-16H,13H2,1-3H3,(H2,27,28)(H2,29,30,32)
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| InChIKey |
NRGYZNJPCGRCLV-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