General Information of the Compound
| Compound ID |
CP0437648
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| Compound Name |
(R)-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-butyric acid
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| Structure |
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| Formula |
C37H51FN4O3
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| Molecular Weight |
618.838
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| Canonical SMILES |
CCCCOc1ccc(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/C37H51FN4O3/c1-5-7-19-45-33-13-11-27(12-14-33)20-32-22-35(42(6-2)39-32)28-15-17-40(18-16-28)23-30-24-41(36(26(3)4)37(43)44)25-34(30)29-9-8-10-31(38)21-29/h8-14,21-22,26,28,30,34,36H,5-7,15-20,23-25H2,1-4H3,(H,43,44)/t30-,34+,36+/m0/s1
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| InChIKey |
XLIWORCNUUZJJY-LOZBNSEJSA-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