General Information of the Compound
| Compound ID |
CP0493873
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| Compound Name |
6-methoxy-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 |
C31H26N2O6S
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| Molecular Weight |
554.624
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| Canonical SMILES |
COc1ccc2nc3sc(cc3cc2c1)C(=O)Nc1ccc(cc1)C(=O)\C=C\c1cc(OC)c(OC)c(OC)c1
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| InChI |
InChI=1S/C31H26N2O6S/c1-36-23-10-11-24-20(16-23)15-21-17-28(40-31(21)33-24)30(35)32-22-8-6-19(7-9-22)25(34)12-5-18-13-26(37-2)29(39-4)27(14-18)38-3/h5-17H,1-4H3,(H,32,35)/b12-5+
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| InChIKey |
HUGUDUNBPBOFAS-LFYBBSHMSA-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