General Information of the Compound
| Compound ID |
CP0366426
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| Compound Name |
1-[(Z)-4-amino-2-fluorobut-2-enyl]-3-[3-(dimethylsulfamoyl)phenyl]-N,N,2-trimethylindole-5-carboxamide;hydrochloride
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| Structure |
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| Formula |
C24H30ClFN4O3S
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| Molecular Weight |
509.047
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| Canonical SMILES |
Cl.CN(C)C(=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/C24H29FN4O3S.ClH/c1-16-23(17-7-6-8-20(13-17)33(31,32)28(4)5)21-14-18(24(30)27(2)3)9-10-22(21)29(16)15-19(25)11-12-26;/h6-11,13-14H,12,15,26H2,1-5H3;1H/b19-11-;
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| InChIKey |
KFXFAGIQHDFNHY-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