General Information of the Compound
| Compound ID |
CP0968635
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| Compound Name |
(S)-3-(6,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl)-N-(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)c(F)ccc12)N[C@H]1CCNC1=O
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| InChI |
InChI=1S/C21H18F3N3O2/c22-12-3-1-11(2-4-12)19-13(14-5-7-15(23)18(24)20(14)27-19)6-8-17(28)26-16-9-10-25-21(16)29/h1-5,7,16,27H,6,8-10H2,(H,25,29)(H,26,28)/t16-/m0/s1
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| InChIKey |
CNDZKNMSENTEGP-INIZCTEOSA-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