General Information of the Compound
| Compound ID |
CP0534234
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| Compound Name |
2-(5-fluoro-1-(4-methoxy-2,3-dimethylphenylsulfonyl)-2-methyl-1H-indol-3-yl)-N-(3-(4-methylpiperazin-1-yl)propyl)acetamide
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| Structure |
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| Formula |
C28H37FN4O4S
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| Molecular Weight |
544.693
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| Canonical SMILES |
COc1ccc(c(C)c1C)S(=O)(=O)n1c(C)c(CC(=O)NCCCN2CCN(C)CC2)c2cc(F)ccc12
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| InChI |
InChI=1S/C28H37FN4O4S/c1-19-20(2)27(10-9-26(19)37-5)38(35,36)33-21(3)23(24-17-22(29)7-8-25(24)33)18-28(34)30-11-6-12-32-15-13-31(4)14-16-32/h7-10,17H,6,11-16,18H2,1-5H3,(H,30,34)
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| InChIKey |
JPVUCQHMDSKVDT-UHFFFAOYSA-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