General Information of the Compound
| Compound ID |
CP0543834
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| Compound Name |
(R)-2-[(2S,3S)-3-{4-[5-(4-Cyclopropoxy-benzyl)-2-ethyl-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 |
C37H49FN4O3
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| Molecular Weight |
616.822
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| Canonical SMILES |
CCn1nc(Cc2ccc(OC3CC3)cc2)cc1C1CCN(C[C@H]2CN(C[C@@H]2c2cccc(F)c2)[C@@H](C(O)=O)C(C)(C)C)CC1
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| InChI |
InChI=1S/C37H49FN4O3/c1-5-42-34(21-30(39-42)19-25-9-11-31(12-10-25)45-32-13-14-32)26-15-17-40(18-16-26)22-28-23-41(35(36(43)44)37(2,3)4)24-33(28)27-7-6-8-29(38)20-27/h6-12,20-21,26,28,32-33,35H,5,13-19,22-24H2,1-4H3,(H,43,44)/t28-,33+,35-/m0/s1
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| InChIKey |
BQQDYTWNFPNXMT-IDLKRKCPSA-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