General Information of the Compound
| Compound ID |
CP0528632
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| Compound Name |
N-[2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]-3-(2-methoxyphenyl)-4-oxophthalazine-1-carboxamide
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| Structure |
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| Formula |
C26H21N5O5S
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| Molecular Weight |
515.551
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| Canonical SMILES |
COc1ccc2nc(NC(=O)CNC(=O)c3nn(-c4ccccc4OC)c(=O)c4ccccc34)sc2c1
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| InChI |
InChI=1S/C26H21N5O5S/c1-35-15-11-12-18-21(13-15)37-26(28-18)29-22(32)14-27-24(33)23-16-7-3-4-8-17(16)25(34)31(30-23)19-9-5-6-10-20(19)36-2/h3-13H,14H2,1-2H3,(H,27,33)(H,28,29,32)
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| InChIKey |
ZSRBLZAMRGNDDO-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