General Information of the Compound
| Compound ID |
CP0970124
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| Compound Name |
3-[[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]methyl]-N-[[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methyl]cyclobutanecarboxamide
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| Formula |
C26H22F6N4O
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| Molecular Weight |
520.477
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| Canonical SMILES |
O=C(NCc1cnn(CC(F)(F)F)c1)C1CC(Cc2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc23)C1
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| InChI |
InChI=1S/C26H22F6N4O/c27-18-3-1-16(2-4-18)23-20(21-8-19(28)9-22(29)24(21)35-23)7-14-5-17(6-14)25(37)33-10-15-11-34-36(12-15)13-26(30,31)32/h1-4,8-9,11-12,14,17,35H,5-7,10,13H2,(H,33,37)
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| InChIKey |
NWWRPMWHWZOYLB-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