General Information of the Compound
| Compound ID |
CP0541939
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| Compound Name |
(R)-2-[(2S,3S)-3-{4-[5-(4-Cyclobutoxy-benzyl)-2-ethyl-2H-pyrazol-3-yl]-piperidin-1-ylmethyl}-4-(3-fluoro-phenyl)-pyrrolidin-1-yl]-3-methyl-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(OC3CCC3)cc2)cc1C1CCN(C[C@H]2CN(C[C@@H]2c2cccc(F)c2)[C@H](C(C)C)C(O)=O)CC1
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| InChI |
InChI=1S/C37H49FN4O3/c1-4-42-35(21-31(39-42)19-26-11-13-33(14-12-26)45-32-9-6-10-32)27-15-17-40(18-16-27)22-29-23-41(36(25(2)3)37(43)44)24-34(29)28-7-5-8-30(38)20-28/h5,7-8,11-14,20-21,25,27,29,32,34,36H,4,6,9-10,15-19,22-24H2,1-3H3,(H,43,44)/t29-,34+,36+/m0/s1
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| InChIKey |
VSDOQRBIRZGCHV-HROZJBRQSA-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