General Information of the Compound
| Compound ID |
CP0955289
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| Compound Name |
2-(2-tert-butyl-5-(1-(2,2-difluorobenzo[d][1,3]dioxol-5-yl)cyclopropanecarboxamido)-6-fluoro-1H-indol-1-yl)-N,N,N-trimethylethanaminium
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| Structure |
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| Formula |
C28H33F3N3O3+
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| Molecular Weight |
516.584
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| Canonical SMILES |
CC(C)(C)c1cc2cc(NC(=O)C3(c4ccc5c(c4)OC(F)(F)O5)CC3)c(F)cc2n1CC[N+](C)(C)C
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| InChI |
InChI=1S/C28H32F3N3O3/c1-26(2,3)24-14-17-13-20(19(29)16-21(17)33(24)11-12-34(4,5)6)32-25(35)27(9-10-27)18-7-8-22-23(15-18)37-28(30,31)36-22/h7-8,13-16H,9-12H2,1-6H3/p+1
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| InChIKey |
OQHLTFVTCGVZLA-UHFFFAOYSA-O
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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