General Information of the Compound
| Compound ID |
CP0543835
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| Compound Name |
(R)-2-[(2S,3S)-3-{4-[2-Ethyl-5-(4-hydroxy-benzyl)-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 |
C34H45FN4O3
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| Molecular Weight |
576.757
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| Canonical SMILES |
CCn1nc(Cc2ccc(O)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/C34H45FN4O3/c1-5-39-31(19-28(36-39)17-23-9-11-29(40)12-10-23)24-13-15-37(16-14-24)20-26-21-38(32(33(41)42)34(2,3)4)22-30(26)25-7-6-8-27(35)18-25/h6-12,18-19,24,26,30,32,40H,5,13-17,20-22H2,1-4H3,(H,41,42)/t26-,30+,32-/m0/s1
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| InChIKey |
DWPMZRNGNHVNJD-LEFKNYOOSA-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