General Information of the Compound
| Compound ID |
CP0963980
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| Compound Name |
trans-3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-(5-oxopyrrolidin-3-yl)cyclobutanecarboxamide
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| Formula |
C23H20F3N3O2
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| Molecular Weight |
427.426
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| Canonical SMILES |
O=C1CC(NC(=O)[C@H]2C[C@H](c3c(-c4ccc(F)cc4)[nH]c4c(F)cc(F)cc43)C2)CN1
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| InChI |
InChI=1S/C23H20F3N3O2/c24-14-3-1-11(2-4-14)21-20(17-7-15(25)8-18(26)22(17)29-21)12-5-13(6-12)23(31)28-16-9-19(30)27-10-16/h1-4,7-8,12-13,16,29H,5-6,9-10H2,(H,27,30)(H,28,31)/t12-,13-,16?
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| InChIKey |
QHNQKHSPIYDELZ-RRNIMWOJSA-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