General Information of the Compound
| Compound ID |
CP0497633
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| Compound Name |
(R)-[(2S,3S)-3-{4-[5-(4-Cyano-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 |
C37H46FN5O2
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| Molecular Weight |
611.806
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| Canonical SMILES |
CCn1nc(Cc2ccc(cc2)C#N)cc1C1CCN(C[C@H]2CN(C[C@@H]2c2cccc(F)c2)[C@H](C2CCCCC2)C(O)=O)CC1
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| InChI |
InChI=1S/C37H46FN5O2/c1-2-43-35(21-33(40-43)19-26-11-13-27(22-39)14-12-26)28-15-17-41(18-16-28)23-31-24-42(25-34(31)30-9-6-10-32(38)20-30)36(37(44)45)29-7-4-3-5-8-29/h6,9-14,20-21,28-29,31,34,36H,2-5,7-8,15-19,23-25H2,1H3,(H,44,45)/t31-,34+,36+/m0/s1
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| InChIKey |
JLBKIRLQWICEER-FFPQSLRISA-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