General Information of the Compound
| Compound ID |
CP0455168
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| Compound Name |
6-methyl-N-[4-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]phenyl]thieno[2,3-b]quinoline-2-carboxamide
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| Structure |
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| Formula |
C31H26N2O5S
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| Molecular Weight |
538.625
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| Canonical SMILES |
COc1cc(\C=C\C(=O)c2ccc(NC(=O)c3cc4cc5cc(C)ccc5nc4s3)cc2)cc(OC)c1OC
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| InChI |
InChI=1S/C31H26N2O5S/c1-18-5-11-24-21(13-18)16-22-17-28(39-31(22)33-24)30(35)32-23-9-7-20(8-10-23)25(34)12-6-19-14-26(36-2)29(38-4)27(15-19)37-3/h5-17H,1-4H3,(H,32,35)/b12-6+
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| InChIKey |
UWIYEYRJJQXAOU-WUXMJOGZSA-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