General Information of the Compound
| Compound ID |
CP0969335
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| Compound Name |
(S)-3-(5-fluoro-2-(4-fluorophenyl)-7-methoxy-1H-indol-3-yl)-N-(2-oxopyrrolidin-3-yl)propanamide
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| Structure |
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| Formula |
C22H21F2N3O3
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| Molecular Weight |
413.424
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| Canonical SMILES |
COc1cc(F)cc2c(CCC(=O)N[C@H]3CCNC3=O)c(-c3ccc(F)cc3)[nH]c12
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| InChI |
InChI=1S/C22H21F2N3O3/c1-30-18-11-14(24)10-16-15(6-7-19(28)26-17-8-9-25-22(17)29)20(27-21(16)18)12-2-4-13(23)5-3-12/h2-5,10-11,17,27H,6-9H2,1H3,(H,25,29)(H,26,28)/t17-/m0/s1
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| InChIKey |
UHANLPBHIVQPKB-KRWDZBQOSA-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