General Information of the Compound
| Compound ID |
CP0969170
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| Compound Name |
ethyl 2-{4-[(1R)-1-[(1-methyl-5-phenyl-1H-pyrazol-3-yl)formamido]ethyl]benzenesulfonyl}acetate
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| Structure |
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| Formula |
C23H25N3O5S
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| Molecular Weight |
455.536
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| Canonical SMILES |
CCOC(=O)CS(=O)(=O)c1ccc([C@@H](C)NC(=O)c2cc(-c3ccccc3)n(C)n2)cc1
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| InChI |
InChI=1S/C23H25N3O5S/c1-4-31-22(27)15-32(29,30)19-12-10-17(11-13-19)16(2)24-23(28)20-14-21(26(3)25-20)18-8-6-5-7-9-18/h5-14,16H,4,15H2,1-3H3,(H,24,28)/t16-/m1/s1
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| InChIKey |
CDXRWHUDGVBFMJ-MRXNPFEDSA-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