General Information of the Compound
| Compound ID |
CP0528629
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| Compound Name |
3-(4-methoxyphenyl)-N-[2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]-4-oxophthalazine-1-carboxamide
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| Structure |
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| Formula |
C26H21N5O4S
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| Molecular Weight |
499.552
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| Canonical SMILES |
COc1ccc(cc1)-n1nc(C(=O)NCC(=O)Nc2nc3ccc(C)cc3s2)c2ccccc2c1=O
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| InChI |
InChI=1S/C26H21N5O4S/c1-15-7-12-20-21(13-15)36-26(28-20)29-22(32)14-27-24(33)23-18-5-3-4-6-19(18)25(34)31(30-23)16-8-10-17(35-2)11-9-16/h3-13H,14H2,1-2H3,(H,27,33)(H,28,29,32)
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| InChIKey |
OCTPZOGBXMZPFC-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