General Information of the Compound
| Compound ID |
CP0373621
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| Compound Name |
(R)-2-[(2S,3S)-3-{4-[5-(3,5-Bis-trifluoromethyl-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 |
C36H43F7N4O2
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| Molecular Weight |
696.752
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| Canonical SMILES |
CCn1nc(Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)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/C36H43F7N4O2/c1-5-47-31(18-29(44-47)15-22-13-26(35(38,39)40)17-27(14-22)36(41,42)43)23-9-11-45(12-10-23)19-25-20-46(32(33(48)49)34(2,3)4)21-30(25)24-7-6-8-28(37)16-24/h6-8,13-14,16-18,23,25,30,32H,5,9-12,15,19-21H2,1-4H3,(H,48,49)/t25-,30+,32-/m0/s1
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| InChIKey |
VIENJCFWEDWDHW-RMRIFHTGSA-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