General Information of the Compound
| Compound ID |
CP0096073
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| Compound Name |
3-[4-amino-5-(4-{[(3-methylphenyl)carbamoyl]amino}phenyl)thieno[2,3-d]pyrimidin-6-yl]propanamide
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| Structure |
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| Formula |
C23H22N6O2S
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| Molecular Weight |
446.536
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| Canonical SMILES |
Cc1cccc(NC(=O)Nc2ccc(cc2)-c2c(CCC(N)=O)sc3ncnc(N)c23)c1
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| InChI |
InChI=1S/C23H22N6O2S/c1-13-3-2-4-16(11-13)29-23(31)28-15-7-5-14(6-8-15)19-17(9-10-18(24)30)32-22-20(19)21(25)26-12-27-22/h2-8,11-12H,9-10H2,1H3,(H2,24,30)(H2,25,26,27)(H2,28,29,31)
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| InChIKey |
AOQSEIRRISHVNQ-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