General Information of the Compound
| Compound ID |
CP0071107
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| Compound Name |
2-(4-methoxyphenyl)-N-(2-(4-sulfamoylphenylamino)-5,6-dihydrobenzo[h]quinazolin-8-yl)acetamide
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| Structure |
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| Formula |
C27H25N5O4S
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| Molecular Weight |
515.595
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| Canonical SMILES |
COc1ccc(CC(=O)Nc2ccc-3c(CCc4cnc(Nc5ccc(cc5)S(N)(=O)=O)nc-34)c2)cc1
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| InChI |
InChI=1S/C27H25N5O4S/c1-36-22-9-2-17(3-10-22)14-25(33)30-21-8-13-24-18(15-21)4-5-19-16-29-27(32-26(19)24)31-20-6-11-23(12-7-20)37(28,34)35/h2-3,6-13,15-16H,4-5,14H2,1H3,(H,30,33)(H2,28,34,35)(H,29,31,32)
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| InChIKey |
IVFKBDVWDXZDKD-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