General Information of the Compound
| Compound ID |
CP0964146
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| Compound Name |
3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-[(3S)-2-oxopyrrolidin-3-yl]propanamide
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| Structure |
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| Formula |
C21H18F3N3O2
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| Molecular Weight |
401.388
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| Canonical SMILES |
O=C(CCc1c(-c2ccc(F)cc2)[nH]c2c(F)cc(F)cc12)N[C@H]1CCNC1=O
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| InChI |
InChI=1S/C21H18F3N3O2/c22-12-3-1-11(2-4-12)19-14(15-9-13(23)10-16(24)20(15)27-19)5-6-18(28)26-17-7-8-25-21(17)29/h1-4,9-10,17,27H,5-8H2,(H,25,29)(H,26,28)/t17-/m0/s1
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| InChIKey |
XXHTXOAUVHFTLP-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