General Information of the Compound
| Compound ID |
CP0533325
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| Compound Name |
6,7-dimethoxy-2-[(3-oxo-1H-2-benzofuran-1-yl)methyl]-4-[4-[2-(sulfamoylamino)ethyl]piperidin-1-yl]quinazoline
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| Structure |
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| Formula |
C26H31N5O6S
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| Molecular Weight |
541.63
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| Canonical SMILES |
COc1cc2nc(CC3OC(=O)c4ccccc34)nc(N3CCC(CCNS(N)(=O)=O)CC3)c2cc1OC
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| InChI |
InChI=1S/C26H31N5O6S/c1-35-22-13-19-20(14-23(22)36-2)29-24(15-21-17-5-3-4-6-18(17)26(32)37-21)30-25(19)31-11-8-16(9-12-31)7-10-28-38(27,33)34/h3-6,13-14,16,21,28H,7-12,15H2,1-2H3,(H2,27,33,34)
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| InChIKey |
FKUHHOLLMINNAR-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