General Information of the Compound
| Compound ID |
CP0968638
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| Compound Name |
3-(5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl)-N-((S)-2-oxopyrrolidin-3-yl)butanamide
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| Structure |
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| Formula |
C22H20F3N3O2
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| Molecular Weight |
415.415
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| Canonical SMILES |
CC(CC(=O)N[C@H]1CCNC1=O)c1c(-c2ccc(F)cc2)[nH]c2c(F)cc(F)cc12
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| InChI |
InChI=1S/C22H20F3N3O2/c1-11(8-18(29)27-17-6-7-26-22(17)30)19-15-9-14(24)10-16(25)21(15)28-20(19)12-2-4-13(23)5-3-12/h2-5,9-11,17,28H,6-8H2,1H3,(H,26,30)(H,27,29)/t11?,17-/m0/s1
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| InChIKey |
NFTLLEITAGWWNE-KLLZUTDZSA-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