General Information of the Compound
| Compound ID |
CP0487574
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| Compound Name |
(2R,4R)-2-[(2S,3S)-3-{4-[5-(4-Butoxy-benzyl)-2-ethyl-2H-pyrazol-3-yl]-piperidin-1-ylmethyl}-4-(3-fluoro-phenyl)-pyrrolidin-1-yl]-3-methyl-pentanoic acid
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| Structure |
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| Formula |
C38H53FN4O3
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| Molecular Weight |
632.865
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| Canonical SMILES |
CCCCOc1ccc(Cc2cc(C3CCN(C[C@H]4CN(C[C@@H]4c4cccc(F)c4)[C@H]([C@H](C)CC)C(O)=O)CC3)n(CC)n2)cc1
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| InChI |
InChI=1S/C38H53FN4O3/c1-5-8-20-46-34-14-12-28(13-15-34)21-33-23-36(43(7-3)40-33)29-16-18-41(19-17-29)24-31-25-42(37(38(44)45)27(4)6-2)26-35(31)30-10-9-11-32(39)22-30/h9-15,22-23,27,29,31,35,37H,5-8,16-21,24-26H2,1-4H3,(H,44,45)/t27-,31+,35-,37-/m1/s1
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| InChIKey |
DKLYXIOKIUWOPO-OQJGNAAVSA-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