General Information of the Compound
| Compound ID |
CP0571430
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| Compound Name |
N-[4-[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]phenyl]-6-methoxythieno[2,3-b]quinoline-2-carboxamide
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| Structure |
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| Formula |
C30H24N2O5S
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| Molecular Weight |
524.598
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| Canonical SMILES |
COc1ccc2nc3sc(cc3cc2c1)C(=O)Nc1ccc(cc1)C(=O)\C=C\c1ccc(OC)c(OC)c1
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| InChI |
InChI=1S/C30H24N2O5S/c1-35-23-10-11-24-20(16-23)15-21-17-28(38-30(21)32-24)29(34)31-22-8-6-19(7-9-22)25(33)12-4-18-5-13-26(36-2)27(14-18)37-3/h4-17H,1-3H3,(H,31,34)/b12-4+
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| InChIKey |
CPPGQSXVYHZQMU-UUILKARUSA-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