General Information of the Compound
| Compound ID |
CP0492117
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| Compound Name |
N-(4-methylpyrimidin-2-yl)-4-[[(Z)-3-oxo-3-(2-oxochromen-3-yl)prop-1-enyl]amino]benzenesulfonamide
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| Structure |
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| Formula |
C23H18N4O5S
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| Molecular Weight |
462.487
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| Canonical SMILES |
Cc1ccnc(NS(=O)(=O)c2ccc(N\C=C/C(=O)c3cc4ccccc4oc3=O)cc2)n1
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| InChI |
InChI=1S/C23H18N4O5S/c1-15-10-12-25-23(26-15)27-33(30,31)18-8-6-17(7-9-18)24-13-11-20(28)19-14-16-4-2-3-5-21(16)32-22(19)29/h2-14,24H,1H3,(H,25,26,27)/b13-11-
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| InChIKey |
AXFIJMAAXHZPPP-QBFSEMIESA-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