General Information of the Compound
| Compound ID |
CP0541328
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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]-3,3-dimethyl-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 |
CCCOc1ccc(Cc2cc(C3CCN(C[C@H]4CN(C[C@@H]4c4cccc(F)c4)[C@@H](C(O)=O)C(C)(C)C)CC3)n(CC)n2)cc1
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| InChI |
InChI=1S/C37H51FN4O3/c1-6-19-45-32-13-11-26(12-14-32)20-31-22-34(42(7-2)39-31)27-15-17-40(18-16-27)23-29-24-41(35(36(43)44)37(3,4)5)25-33(29)28-9-8-10-30(38)21-28/h8-14,21-22,27,29,33,35H,6-7,15-20,23-25H2,1-5H3,(H,43,44)/t29-,33+,35-/m0/s1
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| InChIKey |
ZTXBUYCSHALQDM-AUFCLJJTSA-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