General Information of the Compound
| Compound ID |
CP0552316
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| Compound Name |
N-[4-[(E)-3-(3-methoxyphenyl)prop-2-enoyl]phenyl]-6-methylthieno[2,3-b]quinoline-2-carboxamide
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| Structure |
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| Formula |
C29H22N2O3S
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| Molecular Weight |
478.573
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| Canonical SMILES |
COc1cccc(\C=C\C(=O)c2ccc(NC(=O)c3cc4cc5cc(C)ccc5nc4s3)cc2)c1
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| InChI |
InChI=1S/C29H22N2O3S/c1-18-6-12-25-21(14-18)16-22-17-27(35-29(22)31-25)28(33)30-23-10-8-20(9-11-23)26(32)13-7-19-4-3-5-24(15-19)34-2/h3-17H,1-2H3,(H,30,33)/b13-7+
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| InChIKey |
OROYVJGETKQDEB-NTUHNPAUSA-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