General Information of the Compound
| Compound ID |
CP0428551
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| Compound Name |
2-(3-(6-formylnaphthalen-2-yl)propanamido)benzoic acid
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| Structure |
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| Formula |
C21H17NO4
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| Molecular Weight |
347.37
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| Canonical SMILES |
OC(=O)c1ccccc1NC(=O)CCc1ccc2cc(C=O)ccc2c1
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| InChI |
InChI=1S/C21H17NO4/c23-13-15-6-9-16-11-14(5-8-17(16)12-15)7-10-20(24)22-19-4-2-1-3-18(19)21(25)26/h1-6,8-9,11-13H,7,10H2,(H,22,24)(H,25,26)
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| InChIKey |
RMAOMXOKPHPDJW-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