General Information of the Compound
| Compound ID |
CP0970398
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| Compound Name |
3-[[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]methyl]-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]cyclobutanecarboxamide
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| Formula |
C24H21F3N4O2
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| Molecular Weight |
454.452
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| Canonical SMILES |
Cc1noc(CNC(=O)C2CC(Cc3c(-c4ccc(F)cc4)[nH]c4c(F)cc(F)cc34)C2)n1
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| InChI |
InChI=1S/C24H21F3N4O2/c1-12-29-21(33-31-12)11-28-24(32)15-6-13(7-15)8-18-19-9-17(26)10-20(27)23(19)30-22(18)14-2-4-16(25)5-3-14/h2-5,9-10,13,15,30H,6-8,11H2,1H3,(H,28,32)
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| InChIKey |
FNYUBIICXFIDCN-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