General Information of the Compound
| Compound ID |
CP0541341
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| Compound Name |
(R)-2-[(2S,3S)-3-{4-[5-(3-Cyano-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 |
C35H44FN5O2
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| Molecular Weight |
585.768
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| Canonical SMILES |
CCn1nc(Cc2cccc(c2)C#N)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/C35H44FN5O2/c1-5-41-32(19-30(38-41)17-24-8-6-9-25(16-24)20-37)26-12-14-39(15-13-26)21-28-22-40(33(34(42)43)35(2,3)4)23-31(28)27-10-7-11-29(36)18-27/h6-11,16,18-19,26,28,31,33H,5,12-15,17,21-23H2,1-4H3,(H,42,43)/t28-,31+,33-/m0/s1
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| InChIKey |
RDTANKKXEPUITL-HQRWHSCBSA-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