General Information of the Compound
| Compound ID |
CP0552803
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| Compound Name |
N-[2-[2-[4-[2-(3,4-dihydro-1H-2,6-naphthyridin-2-yl)ethyl]phenyl]tetrazol-5-yl]-5-methoxy-4-phenylmethoxyphenyl]quinoline-3-carboxamide
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| Formula |
C41H36N8O3
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| Molecular Weight |
688.792
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| Canonical SMILES |
COc1cc(NC(=O)c2cnc3ccccc3c2)c(cc1OCc1ccccc1)-c1nnn(n1)-c1ccc(CCN2CCc3cnccc3C2)cc1
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| InChI |
InChI=1S/C41H36N8O3/c1-51-38-23-37(44-41(50)33-21-30-9-5-6-10-36(30)43-25-33)35(22-39(38)52-27-29-7-3-2-4-8-29)40-45-47-49(46-40)34-13-11-28(12-14-34)16-19-48-20-17-31-24-42-18-15-32(31)26-48/h2-15,18,21-25H,16-17,19-20,26-27H2,1H3,(H,44,50)
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| InChIKey |
CNPVASHDPUJKPV-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