General Information of the Compound
| Compound ID |
CP0511593
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| Compound Name |
(R)-[(2S,3S)-3-{4-[5-(4-Butoxy-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 |
C40H55FN4O3
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| Molecular Weight |
658.903
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| Canonical SMILES |
CCCCOc1ccc(Cc2cc(C3CCN(C[C@H]4CN(C[C@@H]4c4cccc(F)c4)[C@H](C4CCCCC4)C(O)=O)CC3)n(CC)n2)cc1
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| InChI |
InChI=1S/C40H55FN4O3/c1-3-5-22-48-36-16-14-29(15-17-36)23-35-25-38(45(4-2)42-35)30-18-20-43(21-19-30)26-33-27-44(28-37(33)32-12-9-13-34(41)24-32)39(40(46)47)31-10-7-6-8-11-31/h9,12-17,24-25,30-31,33,37,39H,3-8,10-11,18-23,26-28H2,1-2H3,(H,46,47)/t33-,37+,39+/m0/s1
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| InChIKey |
UIXOOGQAQVUYHU-FWWQNHDYSA-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