General Information of the Compound
| Compound ID |
CP0405955
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| Compound Name |
3-Cyclopropyl-2-((S)-3-(3-fluoro-phenyl)-4-{4-[2-((R)-methoxy-phenyl-phosphinoyl)-ethyl]-piperidin-1-ylmethyl}-pyrrolidin-1-yl)-propionic acid
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| Structure |
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| Formula |
C31H42FN2O4P
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| Molecular Weight |
556.659
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| Canonical SMILES |
COP(=O)(CCC1CCN(C[C@H]2CN(C[C@@H]2c2cccc(F)c2)[C@H](CC2CC2)C(O)=O)CC1)c1ccccc1
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| InChI |
InChI=1S/C31H42FN2O4P/c1-38-39(37,28-8-3-2-4-9-28)17-14-23-12-15-33(16-13-23)20-26-21-34(30(31(35)36)18-24-10-11-24)22-29(26)25-6-5-7-27(32)19-25/h2-9,19,23-24,26,29-30H,10-18,20-22H2,1H3,(H,35,36)/t26-,29+,30+,39?/m0/s1
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| InChIKey |
RPBLAMOSILDGGB-DYOXTUNASA-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