General Information of the Compound
| Compound ID |
CP0492247
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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-methyl-butyric 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(OC3CC3)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/C36H47FN4O3/c1-4-41-34(20-30(38-41)18-25-8-10-31(11-9-25)44-32-12-13-32)26-14-16-39(17-15-26)21-28-22-40(35(24(2)3)36(42)43)23-33(28)27-6-5-7-29(37)19-27/h5-11,19-20,24,26,28,32-33,35H,4,12-18,21-23H2,1-3H3,(H,42,43)/t28-,33+,35+/m0/s1
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| InChIKey |
JLVJXUOOJFCQIH-GCFSYYHISA-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