General Information of the Compound
| Compound ID |
CP0489080
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| Compound Name |
N-[(1R)-1-[3-(cyclopropylmethoxy)phenyl]ethyl]-4-[(2,4-dioxopyrimidin-1-yl)methyl]benzenesulfonamide
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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 |
C[C@@H](NS(=O)(=O)c1ccc(Cn2ccc(=O)[nH]c2=O)cc1)c1cccc(OCC2CC2)c1
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| InChI |
InChI=1S/C23H25N3O5S/c1-16(19-3-2-4-20(13-19)31-15-18-5-6-18)25-32(29,30)21-9-7-17(8-10-21)14-26-12-11-22(27)24-23(26)28/h2-4,7-13,16,18,25H,5-6,14-15H2,1H3,(H,24,27,28)/t16-/m1/s1
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| InChIKey |
JQFOZODSYNNKKM-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