General Information of the Compound
| Compound ID |
CP0495926
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| Compound Name |
(R)-Cyclohexyl-[(2S,3S)-3-{4-[2-ethyl-5-(4-hydroxy-benzyl)-2H-pyrazol-3-yl]-piperidin-1-ylmethyl}-4-(3-fluoro-phenyl)-pyrrolidin-1-yl]-acetic acid
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| Structure |
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| Formula |
C36H47FN4O3
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| Molecular Weight |
602.795
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| Canonical SMILES |
CCn1nc(Cc2ccc(O)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/C36H47FN4O3/c1-2-41-34(21-31(38-41)19-25-11-13-32(42)14-12-25)26-15-17-39(18-16-26)22-29-23-40(24-33(29)28-9-6-10-30(37)20-28)35(36(43)44)27-7-4-3-5-8-27/h6,9-14,20-21,26-27,29,33,35,42H,2-5,7-8,15-19,22-24H2,1H3,(H,43,44)/t29-,33+,35+/m0/s1
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| InChIKey |
RXLHNEPWLCJVNN-HMQVCXRFSA-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