General Information of the Compound
| Compound ID |
CP0424577
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| Compound Name |
4-methyl-N-[3-[[2-[(4-methylphenyl)sulfonylamino]phenyl]iminomethyl]phenyl]benzenesulfonamide
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| Formula |
C27H25N3O4S2
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| Molecular Weight |
519.648
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| Canonical SMILES |
Cc1ccc(cc1)S(=O)(=O)Nc1cccc(\C=N\c2ccccc2NS(=O)(=O)c2ccc(C)cc2)c1
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| InChI |
InChI=1S/C27H25N3O4S2/c1-20-10-14-24(15-11-20)35(31,32)29-23-7-5-6-22(18-23)19-28-26-8-3-4-9-27(26)30-36(33,34)25-16-12-21(2)13-17-25/h3-19,29-30H,1-2H3/b28-19+
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| InChIKey |
NLHZKARFTJYDQQ-TURZUDJPSA-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
Protein ID: PT01766, Sphingosine kinase 1
Protein ID: PT01765, Sphingosine kinase 2