General Information of the Compound
| Compound ID |
CP0965058
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| Compound Name |
3-(2-(4-fluorophenyl)-6-hydroxy-1H-indol-3-yl)-N-((3R,4S)-4-hydroxy-2-oxopyrrolidin-3-yl)propanamide
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| Structure |
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| Formula |
C21H20FN3O4
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| Molecular Weight |
397.406
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| Canonical SMILES |
O=C(CCc1c(-c2ccc(F)cc2)[nH]c2cc(O)ccc12)N[C@H]1C(=O)NC[C@@H]1O
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| InChI |
InChI=1S/C21H20FN3O4/c22-12-3-1-11(2-4-12)19-15(14-6-5-13(26)9-16(14)24-19)7-8-18(28)25-20-17(27)10-23-21(20)29/h1-6,9,17,20,24,26-27H,7-8,10H2,(H,23,29)(H,25,28)/t17-,20+/m0/s1
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| InChIKey |
APYSSCWRYPKBTP-FXAWDEMLSA-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