General Information of the Compound
| Compound ID |
CP0460168
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| Compound Name |
(R)-Cyclohexyl-((3S,4S)-3-{4-[3-(4-fluoro-phenyl)-3-oxo-propyl]-piperidin-1-ylmethyl}-4-phenyl-pyrrolidin-1-yl)-acetic acid
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| Structure |
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| Formula |
C33H43FN2O3
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| Molecular Weight |
534.716
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| Canonical SMILES |
OC(=O)[C@@H](C1CCCCC1)N1C[C@H](CN2CCC(CCC(=O)c3ccc(F)cc3)CC2)[C@H](C1)c1ccccc1
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| InChI |
InChI=1S/C33H43FN2O3/c34-29-14-12-26(13-15-29)31(37)16-11-24-17-19-35(20-18-24)21-28-22-36(23-30(28)25-7-3-1-4-8-25)32(33(38)39)27-9-5-2-6-10-27/h1,3-4,7-8,12-15,24,27-28,30,32H,2,5-6,9-11,16-23H2,(H,38,39)/t28-,30+,32+/m0/s1
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| InChIKey |
YDBGAVBSGNGJBY-QTKNLHBISA-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