General Information of the Compound
| Compound ID |
CP0968600
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| Compound Name |
3-[[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]methyl]-N-[(3S)-2-oxotetrahydrofuran-3-yl]cyclobutanecarboxamide
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| Formula |
C24H21F3N2O3
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| Molecular Weight |
442.437
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| Canonical SMILES |
O=C(N[C@H]1CCOC1=O)C1CC(Cc2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc23)C1
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| InChI |
InChI=1S/C24H21F3N2O3/c25-15-3-1-13(2-4-15)21-17(18-10-16(26)11-19(27)22(18)29-21)9-12-7-14(8-12)23(30)28-20-5-6-32-24(20)31/h1-4,10-12,14,20,29H,5-9H2,(H,28,30)/t12?,14?,20-/m0/s1
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| InChIKey |
HAETYQDNJCBMEZ-KBDARXMYSA-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