General Information of the Compound
| Compound ID |
CP0514596
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| Compound Name |
(R)-Cyclohexyl-[(2S,3S)-3-{4-[2-ethyl-5-(4-methanesulfonyl-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 |
C37H49FN4O4S
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| Molecular Weight |
664.888
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| Canonical SMILES |
CCn1nc(Cc2ccc(cc2)S(C)(=O)=O)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/C37H49FN4O4S/c1-3-42-35(22-32(39-42)20-26-12-14-33(15-13-26)47(2,45)46)27-16-18-40(19-17-27)23-30-24-41(25-34(30)29-10-7-11-31(38)21-29)36(37(43)44)28-8-5-4-6-9-28/h7,10-15,21-22,27-28,30,34,36H,3-6,8-9,16-20,23-25H2,1-2H3,(H,43,44)/t30-,34+,36+/m0/s1
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| InChIKey |
ZDKXQXAQSWXSLV-LOZBNSEJSA-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