General Information of the Compound
| Compound ID |
CP0426147
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| Compound Name |
N-[2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]-4-oxo-3-phenylphthalazine-1-carboxamide
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| Structure |
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| Formula |
C25H19N5O4S
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| Molecular Weight |
485.525
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| Canonical SMILES |
COc1ccc2nc(NC(=O)CNC(=O)c3nn(-c4ccccc4)c(=O)c4ccccc34)sc2c1
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| InChI |
InChI=1S/C25H19N5O4S/c1-34-16-11-12-19-20(13-16)35-25(27-19)28-21(31)14-26-23(32)22-17-9-5-6-10-18(17)24(33)30(29-22)15-7-3-2-4-8-15/h2-13H,14H2,1H3,(H,26,32)(H,27,28,31)
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| InChIKey |
QQPZJDPGQJLGLV-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