General Information of the Compound
| Compound ID |
CP0547881
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| Compound Name |
3-[1-[(Z)-4-amino-2-fluorobut-2-enyl]-2-methyl-5-methylsulfonylindol-3-yl]-N,N-dimethylbenzenesulfonamide;hydrochloride
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| Structure |
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| Formula |
C22H27ClFN3O4S2
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| Molecular Weight |
516.06
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| Canonical SMILES |
Cl.CN(C)S(=O)(=O)c1cccc(c1)-c1c(C)n(C\C(F)=C\CN)c2ccc(cc12)S(C)(=O)=O
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| InChI |
InChI=1S/C22H26FN3O4S2.ClH/c1-15-22(16-6-5-7-19(12-16)32(29,30)25(2)3)20-13-18(31(4,27)28)8-9-21(20)26(15)14-17(23)10-11-24;/h5-10,12-13H,11,14,24H2,1-4H3;1H/b17-10-;
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| InChIKey |
UNOUPEBVIKZZKI-HVHKRRFMSA-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