General Information of the Compound
| Compound ID |
CP0125790
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| Compound Name |
3-[1-[(Z)-4-amino-2-fluorobut-2-enyl]-2-methylindol-3-yl]-N,N-dimethylbenzenesulfonamide;hydrochloride
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| Structure |
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| Formula |
C21H25ClFN3O2S
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| Molecular Weight |
437.968
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| Canonical SMILES |
Cl.CN(C)S(=O)(=O)c1cccc(c1)-c1c(C)n(C\C(F)=C\CN)c2ccccc12
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| InChI |
InChI=1S/C21H24FN3O2S.ClH/c1-15-21(16-7-6-8-18(13-16)28(26,27)24(2)3)19-9-4-5-10-20(19)25(15)14-17(22)11-12-23;/h4-11,13H,12,14,23H2,1-3H3;1H/b17-11-;
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| InChIKey |
RRMRZEPZBBYIFL-CULRIWENSA-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