General Information of the Compound
| Compound ID |
CP0533863
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| Compound Name |
N-[2-[[(E)-3-(4-pyridin-3-ylphenyl)prop-2-enyl]amino]ethyl]naphthalene-1-sulfonamide
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| Structure |
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| Formula |
C26H25N3O2S
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| Molecular Weight |
443.572
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| Canonical SMILES |
O=S(=O)(NCCNC\C=C\c1ccc(cc1)-c1cccnc1)c1cccc2ccccc12
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| InChI |
InChI=1S/C26H25N3O2S/c30-32(31,26-11-3-8-23-7-1-2-10-25(23)26)29-19-18-27-16-4-6-21-12-14-22(15-13-21)24-9-5-17-28-20-24/h1-15,17,20,27,29H,16,18-19H2/b6-4+
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| InChIKey |
IUIVPQPYDBXFKD-GQCTYLIASA-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