General Information of the Compound
| Compound ID |
CP0469384
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| Compound Name |
(R)-2-[(2S,3S)-3-{4-[2-Ethyl-5-(3-methoxy-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 |
C35H47FN4O3
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| Molecular Weight |
590.784
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| Canonical SMILES |
CCn1nc(Cc2cccc(OC)c2)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/C35H47FN4O3/c1-6-40-32(20-29(37-40)17-24-9-7-12-30(18-24)43-5)25-13-15-38(16-14-25)21-27-22-39(33(34(41)42)35(2,3)4)23-31(27)26-10-8-11-28(36)19-26/h7-12,18-20,25,27,31,33H,6,13-17,21-23H2,1-5H3,(H,41,42)/t27-,31+,33-/m0/s1
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| InChIKey |
QPGWRXNHJFZWSD-QOCRQHEPSA-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