General Information of the Compound
| Compound ID |
CP0488477
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| Compound Name |
N-[2-[2-[4-[2-(3,4-dihydro-1H-2,7-naphthyridin-2-yl)ethyl]phenyl]tetrazol-5-yl]-4,5-dimethoxyphenyl]-4-oxochromene-2-carboxamide
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| Formula |
C35H31N7O5
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| Molecular Weight |
629.677
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| Canonical SMILES |
COc1cc(NC(=O)c2cc(=O)c3ccccc3o2)c(cc1OC)-c1nnn(n1)-c1ccc(CCN2CCc3ccncc3C2)cc1
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| InChI |
InChI=1S/C35H31N7O5/c1-45-31-17-27(28(18-32(31)46-2)37-35(44)33-19-29(43)26-5-3-4-6-30(26)47-33)34-38-40-42(39-34)25-9-7-22(8-10-25)12-15-41-16-13-23-11-14-36-20-24(23)21-41/h3-11,14,17-20H,12-13,15-16,21H2,1-2H3,(H,37,44)
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| InChIKey |
AXKJSOCDLOSUDW-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