General Information of the Compound
| Compound ID |
CP0955430
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| Compound Name |
2-((2-(4-fluorophenyl)-1H-indol-3-yl)thio)-N-((3S,4R)-4-hydroxy-2-oxopyrrolidin-3-yl)acetamide
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| Structure |
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| Formula |
C20H18FN3O3S
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| Molecular Weight |
399.447
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| Canonical SMILES |
O=C(CSc1c(-c2ccc(F)cc2)[nH]c2ccccc12)N[C@@H]1C(=O)NC[C@H]1O
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| InChI |
InChI=1S/C20H18FN3O3S/c21-12-7-5-11(6-8-12)17-19(13-3-1-2-4-14(13)23-17)28-10-16(26)24-18-15(25)9-22-20(18)27/h1-8,15,18,23,25H,9-10H2,(H,22,27)(H,24,26)/t15-,18+/m1/s1
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| InChIKey |
GZAKGRPHOXGJHS-QAPCUYQASA-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