General Information of the Compound
| Compound ID |
CP0488130
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| Compound Name |
(2R,4S)-2-[(2S,3S)-3-{4-[5-(4-Benzyloxy-benzyl)-2-ethyl-2H-pyrazol-3-yl]-piperidin-1-ylmethyl}-4-(3-fluoro-phenyl)-pyrrolidin-1-yl]-3-methyl-pentanoic acid
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| Structure |
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| Formula |
C41H51FN4O3
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| Molecular Weight |
666.882
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| Canonical SMILES |
CC[C@H](C)[C@@H](N1C[C@H](CN2CCC(CC2)c2cc(Cc3ccc(OCc4ccccc4)cc3)nn2CC)[C@H](C1)c1cccc(F)c1)C(O)=O
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| InChI |
InChI=1S/C41H51FN4O3/c1-4-29(3)40(41(47)48)45-26-34(38(27-45)33-12-9-13-35(42)23-33)25-44-20-18-32(19-21-44)39-24-36(43-46(39)5-2)22-30-14-16-37(17-15-30)49-28-31-10-7-6-8-11-31/h6-17,23-24,29,32,34,38,40H,4-5,18-22,25-28H2,1-3H3,(H,47,48)/t29-,34-,38+,40+/m0/s1
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| InChIKey |
HLZAJLBSYWFNOU-DDEBSJFKSA-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