General Information of the Compound
| Compound ID |
CP0426816
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| Compound Name |
3-Cyclopropyl-2-((S)-3-(3-fluoro-phenyl)-4-{4-[2-((R)-hydroxy-phenyl-phosphinoyl)-ethyl]-piperidin-1-ylmethyl}-pyrrolidin-1-yl)-propionic acid
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| Structure |
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| Formula |
C30H40FN2O4P
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| Molecular Weight |
542.632
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| Canonical SMILES |
OC(=O)[C@@H](CC1CC1)N1C[C@H](CN2CCC(CCP(O)(=O)c3ccccc3)CC2)[C@H](C1)c1cccc(F)c1
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| InChI |
InChI=1S/C30H40FN2O4P/c31-26-6-4-5-24(18-26)28-21-33(29(30(34)35)17-23-9-10-23)20-25(28)19-32-14-11-22(12-15-32)13-16-38(36,37)27-7-2-1-3-8-27/h1-8,18,22-23,25,28-29H,9-17,19-21H2,(H,34,35)(H,36,37)/t25-,28+,29+/m0/s1
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| InChIKey |
WDNJDEHYMQIMMS-RFYMFKDESA-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