General Information of the Compound
| Compound ID |
CP0508120
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| Compound Name |
(R)-[(2S,3S)-3-{4-[5-(4-tert-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 |
CCn1nc(Cc2ccc(OC(C)(C)C)cc2)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/C40H55FN4O3/c1-5-45-37(24-34(42-45)22-28-14-16-35(17-15-28)48-40(2,3)4)29-18-20-43(21-19-29)25-32-26-44(27-36(32)31-12-9-13-33(41)23-31)38(39(46)47)30-10-7-6-8-11-30/h9,12-17,23-24,29-30,32,36,38H,5-8,10-11,18-22,25-27H2,1-4H3,(H,46,47)/t32-,36+,38+/m0/s1
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| InChIKey |
JAZDXLMRRUTSBU-GFJCEQABSA-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