General Information of the Compound
| Compound ID |
CP0458304
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| Compound Name |
2-[(4-methoxynaphthalen-2-yl)amino]-5-nitrobenzoic acid
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| Structure |
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| Formula |
C18H14N2O5
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| Molecular Weight |
338.319
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| Canonical SMILES |
COc1cc(Nc2ccc(cc2C(O)=O)[N+]([O-])=O)cc2ccccc12
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| InChI |
InChI=1S/C18H14N2O5/c1-25-17-9-12(8-11-4-2-3-5-14(11)17)19-16-7-6-13(20(23)24)10-15(16)18(21)22/h2-10,19H,1H3,(H,21,22)
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| InChIKey |
JIVRLHBAUUZTNC-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
Protein ID: PT06716, Anoctamin-1
Protein ID: PT06826, Anoctamin-2