General Information of the Compound
| Compound ID |
CP0437581
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| Compound Name |
4-[(E)-3-[[(E)-3-[2,4-dichloro-3-[(2-methylquinolin-8-yl)oxymethyl]phenyl]prop-2-enyl]amino]-3-oxoprop-1-enyl]-N-methylbenzamide
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| Structure |
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| Formula |
C31H27Cl2N3O3
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| Molecular Weight |
560.481
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| Canonical SMILES |
CNC(=O)c1ccc(\C=C\C(=O)NC\C=C\c2ccc(Cl)c(COc3cccc4ccc(C)nc34)c2Cl)cc1
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| InChI |
InChI=1S/C31H27Cl2N3O3/c1-20-8-12-23-5-3-7-27(30(23)36-20)39-19-25-26(32)16-15-22(29(25)33)6-4-18-35-28(37)17-11-21-9-13-24(14-10-21)31(38)34-2/h3-17H,18-19H2,1-2H3,(H,34,38)(H,35,37)/b6-4+,17-11+
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| InChIKey |
HRLBCSJZOFMEKH-TWYFDOCPSA-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