General Information of the Compound
| Compound ID |
CP0871125
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| Compound Name |
2-(cyclohexanecarboxamido)-N-(3-ethynylphenyl)benzamide
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| Structure |
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| Formula |
C22H22N2O2
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| Molecular Weight |
346.43
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| Canonical SMILES |
C#Cc1cccc(NC(=O)c2ccccc2NC(=O)C2CCCCC2)c1
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| InChI |
InChI=1S/C22H22N2O2/c1-2-16-9-8-12-18(15-16)23-22(26)19-13-6-7-14-20(19)24-21(25)17-10-4-3-5-11-17/h1,6-9,12-15,17H,3-5,10-11H2,(H,23,26)(H,24,25)
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| InChIKey |
DCWHKHHRIOPSRX-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