General Information of the Compound
| Compound ID |
CP0488478
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| Compound Name |
N-[2-[2-[4-[2-(6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)ethyl]phenyl]tetrazol-5-yl]-5-methoxy-4-phenylmethoxyphenyl]-4-oxochromene-2-carboxamide
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| Formula |
C39H34N8O5
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| Molecular Weight |
694.752
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| Canonical SMILES |
COc1cc(NC(=O)c2cc(=O)c3ccccc3o2)c(cc1OCc1ccccc1)-c1nnn(n1)-c1ccc(CCN2CCn3cncc3C2)cc1
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| InChI |
InChI=1S/C39H34N8O5/c1-50-35-20-32(41-39(49)37-21-33(48)30-9-5-6-10-34(30)52-37)31(19-36(35)51-24-27-7-3-2-4-8-27)38-42-44-47(43-38)28-13-11-26(12-14-28)15-16-45-17-18-46-25-40-22-29(46)23-45/h2-14,19-22,25H,15-18,23-24H2,1H3,(H,41,49)
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| InChIKey |
UDDZMWUDZQHVIG-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