General Information of the Compound
| Compound ID |
CP0395197
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| Compound Name |
(R)-[(2S,3S)-3-[4-(5-Benzyl-2-ethyl-2H-pyrazol-3-yl)-piperidin-1-ylmethyl]-4-(3-fluoro-phenyl)-pyrrolidin-1-yl]-cyclohexyl-acetic acid
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| Structure |
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| Formula |
C36H47FN4O2
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| Molecular Weight |
586.796
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| Canonical SMILES |
CCn1nc(Cc2ccccc2)cc1C1CCN(C[C@H]2CN(C[C@@H]2c2cccc(F)c2)[C@H](C2CCCCC2)C(O)=O)CC1
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| InChI |
InChI=1S/C36H47FN4O2/c1-2-41-34(22-32(38-41)20-26-10-5-3-6-11-26)27-16-18-39(19-17-27)23-30-24-40(25-33(30)29-14-9-15-31(37)21-29)35(36(42)43)28-12-7-4-8-13-28/h3,5-6,9-11,14-15,21-22,27-28,30,33,35H,2,4,7-8,12-13,16-20,23-25H2,1H3,(H,42,43)/t30-,33+,35+/m0/s1
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| InChIKey |
NGQNBQOIRABSGM-KZDQMGDASA-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