General Information of the Compound
| Compound ID |
CP0921723
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| Compound Name |
(S)-1-(2,2-difluorobenzo[d][1,3]dioxol-5-yl)-N-(2-(4-(2,3-dihydroxypropoxy)-2-methylbutan-2-yl)-6-fluoro-1H-indol-5-yl)cyclopropanecarboxamide
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| Structure |
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| Formula |
C27H29F3N2O6
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| Molecular Weight |
534.531
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| Canonical SMILES |
CC(C)(CCOC[C@@H](O)CO)c1cc2cc(NC(=O)C3(c4ccc5c(c4)OC(F)(F)O5)CC3)c(F)cc2[nH]1
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| InChI |
InChI=1S/C27H29F3N2O6/c1-25(2,7-8-36-14-17(34)13-33)23-10-15-9-20(18(28)12-19(15)31-23)32-24(35)26(5-6-26)16-3-4-21-22(11-16)38-27(29,30)37-21/h3-4,9-12,17,31,33-34H,5-8,13-14H2,1-2H3,(H,32,35)/t17-/m0/s1
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| InChIKey |
NSIJVCMKFAFADX-KRWDZBQOSA-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