General Information of the Compound
| Compound ID |
CP0375148
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| Compound Name |
(R)-2-[(2S,3S)-3-{4-[2-Ethyl-5-(4-propoxy-benzyl)-2H-pyrazol-3-yl]-piperidin-1-ylmethyl}-4-(3-fluoro-phenyl)-pyrrolidin-1-yl]-3-methyl-butyric acid
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| Structure |
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| Formula |
C36H49FN4O3
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| Molecular Weight |
604.811
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| Canonical SMILES |
CCCOc1ccc(Cc2cc(C3CCN(C[C@H]4CN(C[C@@H]4c4cccc(F)c4)[C@H](C(C)C)C(O)=O)CC3)n(CC)n2)cc1
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| InChI |
InChI=1S/C36H49FN4O3/c1-5-18-44-32-12-10-26(11-13-32)19-31-21-34(41(6-2)38-31)27-14-16-39(17-15-27)22-29-23-40(35(25(3)4)36(42)43)24-33(29)28-8-7-9-30(37)20-28/h7-13,20-21,25,27,29,33,35H,5-6,14-19,22-24H2,1-4H3,(H,42,43)/t29-,33+,35+/m0/s1
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| InChIKey |
YYKXMAVSPFGIFC-HMQVCXRFSA-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