General Information of the Compound
| Compound ID |
CP0366428
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| Compound Name |
ethyl 1-[(Z)-4-amino-2-fluorobut-2-enyl]-3-[3-(dimethylsulfamoyl)phenyl]-2-methylindole-5-carboxylate;hydrochloride
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| Structure |
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| Formula |
C24H29ClFN3O4S
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| Molecular Weight |
510.031
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| Canonical SMILES |
Cl.CCOC(=O)c1ccc2n(C\C(F)=C\CN)c(C)c(-c3cccc(c3)S(=O)(=O)N(C)C)c2c1
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| InChI |
InChI=1S/C24H28FN3O4S.ClH/c1-5-32-24(29)18-9-10-22-21(14-18)23(16(2)28(22)15-19(25)11-12-26)17-7-6-8-20(13-17)33(30,31)27(3)4;/h6-11,13-14H,5,12,15,26H2,1-4H3;1H/b19-11-;
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| InChIKey |
BNNJXUXURICCOV-XHFAFUTOSA-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