General Information of the Compound
| Compound ID |
CP0549823
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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]-4,5-dimethoxyphenyl]-4-oxochromene-2-carboxamide
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| Formula |
C33H30N8O5
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| Molecular Weight |
618.654
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| Canonical SMILES |
COc1cc(NC(=O)c2cc(=O)c3ccccc3o2)c(cc1OC)-c1nnn(n1)-c1ccc(CCN2CCn3cncc3C2)cc1
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| InChI |
InChI=1S/C33H30N8O5/c1-44-29-15-25(26(16-30(29)45-2)35-33(43)31-17-27(42)24-5-3-4-6-28(24)46-31)32-36-38-41(37-32)22-9-7-21(8-10-22)11-12-39-13-14-40-20-34-18-23(40)19-39/h3-10,15-18,20H,11-14,19H2,1-2H3,(H,35,43)
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| InChIKey |
JUDGYJOURFAWRX-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