General Information of the Compound
| Compound ID |
CP0309463
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| Compound Name |
4-{[(2S,4S)-4-fluoro-1-{2-[3-methoxy-4-({[2-(trifluoromethyl)phenyl]carbamoyl}amino)phenyl]acetyl}pyrrolidin-2-yl]methoxy}benzoic acid
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| Structure |
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| Formula |
C29H27F4N3O6
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| Molecular Weight |
589.542
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| Canonical SMILES |
COc1cc(CC(=O)N2C[C@@H](F)C[C@H]2COc2ccc(cc2)C(O)=O)ccc1NC(=O)Nc1ccccc1C(F)(F)F
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| InChI |
InChI=1S/C29H27F4N3O6/c1-41-25-12-17(6-11-24(25)35-28(40)34-23-5-3-2-4-22(23)29(31,32)33)13-26(37)36-15-19(30)14-20(36)16-42-21-9-7-18(8-10-21)27(38)39/h2-12,19-20H,13-16H2,1H3,(H,38,39)(H2,34,35,40)/t19-,20-/m0/s1
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| InChIKey |
NLJJQBFMCWFYIW-PMACEKPBSA-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