General Information of the Compound
| Compound ID |
CP0953032
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| Compound Name |
trans-3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-(2-methylsulfonylethyl)cyclobutanecarboxamide
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| Formula |
C22H21F3N2O3S
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| Molecular Weight |
450.482
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| Canonical SMILES |
CS(=O)(=O)CCNC(=O)[C@H]1C[C@H](c2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc32)C1
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| InChI |
InChI=1S/C22H21F3N2O3S/c1-31(29,30)7-6-26-22(28)14-8-13(9-14)19-17-10-16(24)11-18(25)21(17)27-20(19)12-2-4-15(23)5-3-12/h2-5,10-11,13-14,27H,6-9H2,1H3,(H,26,28)/t13-,14-
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| InChIKey |
INSFUTQCQWQAOX-HDJSIYSDSA-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