General Information of the Compound
| Compound ID |
CP0440126
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| Compound Name |
N-[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]-4-oxo-3-phenylphthalazine-1-carboxamide
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| Structure |
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| Formula |
C24H17N5O3S
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| Molecular Weight |
455.499
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| Canonical SMILES |
O=C(CNC(=O)c1nn(-c2ccccc2)c(=O)c2ccccc12)Nc1nc2ccccc2s1
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| InChI |
InChI=1S/C24H17N5O3S/c30-20(27-24-26-18-12-6-7-13-19(18)33-24)14-25-22(31)21-16-10-4-5-11-17(16)23(32)29(28-21)15-8-2-1-3-9-15/h1-13H,14H2,(H,25,31)(H,26,27,30)
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| InChIKey |
ONPBXCZWSZUVLX-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