General Information of the Compound
| Compound ID |
CP0552315
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| Compound Name |
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 |
C30H24N2O5S
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| Molecular Weight |
524.598
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| Canonical SMILES |
COc1cc(\C=C\C(=O)c2ccc(NC(=O)c3cc4cc5ccccc5nc4s3)cc2)cc(OC)c1OC
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| InChI |
InChI=1S/C30H24N2O5S/c1-35-25-14-18(15-26(36-2)28(25)37-3)8-13-24(33)19-9-11-22(12-10-19)31-29(34)27-17-21-16-20-6-4-5-7-23(20)32-30(21)38-27/h4-17H,1-3H3,(H,31,34)/b13-8+
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| InChIKey |
WUFOWFGPFLDWEL-MDWZMJQESA-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