General Information of the Compound
| Compound ID |
CP0969688
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| Compound Name |
3-(2-(4-fluoro-2-methylphenyl)-1H-indol-3-yl)-N-((3S,4R)-4-hydroxy-2-oxopyrrolidin-3-yl)propanamide
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| Structure |
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| Formula |
C22H22FN3O3
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| Molecular Weight |
395.434
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| Canonical SMILES |
Cc1cc(F)ccc1-c1[nH]c2ccccc2c1CCC(=O)N[C@@H]1C(=O)NC[C@H]1O
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| InChI |
InChI=1S/C22H22FN3O3/c1-12-10-13(23)6-7-14(12)20-16(15-4-2-3-5-17(15)25-20)8-9-19(28)26-21-18(27)11-24-22(21)29/h2-7,10,18,21,25,27H,8-9,11H2,1H3,(H,24,29)(H,26,28)/t18-,21+/m1/s1
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| InChIKey |
BBHLJHHSIVQCFK-NQIIRXRSSA-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