General Information of the Compound
| Compound ID |
CP0839912
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| Compound Name |
3-(3',4'-Dichlorobenzamide)coumarin
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| Structure |
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| Formula |
C16H9Cl2NO3
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| Molecular Weight |
334.158
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| Canonical SMILES |
O=C(Nc1cc2ccccc2oc1=O)c1ccc(Cl)c(Cl)c1
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| InChI |
InChI=1S/C16H9Cl2NO3/c17-11-6-5-10(7-12(11)18)15(20)19-13-8-9-3-1-2-4-14(9)22-16(13)21/h1-8H,(H,19,20)
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| InChIKey |
VQSVBDYFVMWUHI-UHFFFAOYSA-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