General Information of the Compound
| Compound ID |
CP0534640
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| Compound Name |
7-(Quinolin-2-ylmethoxy)-naphthalene-2-carboxylic acid {2-[4-(1H-tetrazol-5-yl)-phenyl]-ethyl}-amide
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| Structure |
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| Formula |
C30H24N6O2
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| Molecular Weight |
500.562
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| Canonical SMILES |
O=C(NCCc1ccc(cc1)-c1nnn[nH]1)c1ccc2ccc(OCc3ccc4ccccc4n3)cc2c1
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| InChI |
InChI=1S/C30H24N6O2/c37-30(31-16-15-20-5-7-23(8-6-20)29-33-35-36-34-29)24-10-9-21-12-14-27(18-25(21)17-24)38-19-26-13-11-22-3-1-2-4-28(22)32-26/h1-14,17-18H,15-16,19H2,(H,31,37)(H,33,34,35,36)
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| InChIKey |
WRUOBLKMAADSPN-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