General Information of the Compound
| Compound ID |
CP0486796
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| Compound Name |
2-(3-(6-methoxynaphthalen-2-yl)propanamido)benzoic acid
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| Structure |
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| Formula |
C21H19NO4
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| Molecular Weight |
349.386
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| Canonical SMILES |
COc1ccc2cc(CCC(=O)Nc3ccccc3C(O)=O)ccc2c1
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| InChI |
InChI=1S/C21H19NO4/c1-26-17-10-9-15-12-14(6-8-16(15)13-17)7-11-20(23)22-19-5-3-2-4-18(19)21(24)25/h2-6,8-10,12-13H,7,11H2,1H3,(H,22,23)(H,24,25)
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| InChIKey |
GXQUOHSHJSCVKV-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