General Information of the Compound
| Compound ID |
CP0963954
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| Compound Name |
3-(5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl)-2,2-difluoro-N-((3S,4R)-4-hydroxy-2-oxopyrrolidin-3-yl)propanamide
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| Structure |
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| Formula |
C21H16F5N3O3
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| Molecular Weight |
453.367
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| Canonical SMILES |
O=C1NC[C@@H](O)[C@@H]1NC(=O)C(F)(F)Cc1c(-c2ccc(F)cc2)[nH]c2c(F)cc(F)cc12
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| InChI |
InChI=1S/C21H16F5N3O3/c22-10-3-1-9(2-4-10)16-13(12-5-11(23)6-14(24)17(12)28-16)7-21(25,26)20(32)29-18-15(30)8-27-19(18)31/h1-6,15,18,28,30H,7-8H2,(H,27,31)(H,29,32)/t15-,18+/m1/s1
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| InChIKey |
BNUIRHNFJMWRLI-QAPCUYQASA-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