General Information of the Compound
| Compound ID |
CP0438728
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| Compound Name |
3-(4-fluorophenyl)-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 |
C25H18FN5O3S
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| Molecular Weight |
487.516
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| Canonical SMILES |
Cc1ccc2nc(NC(=O)CNC(=O)c3nn(-c4ccc(F)cc4)c(=O)c4ccccc34)sc2c1
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| InChI |
InChI=1S/C25H18FN5O3S/c1-14-6-11-19-20(12-14)35-25(28-19)29-21(32)13-27-23(33)22-17-4-2-3-5-18(17)24(34)31(30-22)16-9-7-15(26)8-10-16/h2-12H,13H2,1H3,(H,27,33)(H,28,29,32)
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| InChIKey |
FDRCDUCLEJDSAR-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