General Information of the Compound
| Compound ID |
CP0492654
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| Compound Name |
(2R)-3-cyclopropyl-2-((3S,4S)-3-(3-fluorophenyl)-4-((4-(3-(4-fluorophenyl)-4-methoxy-4-oxobutyl)piperidin-1-yl)methyl)pyrrolidin-1-yl)propanoic acid
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| Structure |
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| Formula |
C33H42F2N2O4
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| Molecular Weight |
568.705
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| Canonical SMILES |
COC(=O)C(CCC1CCN(C[C@H]2CN(C[C@@H]2c2cccc(F)c2)[C@H](CC2CC2)C(O)=O)CC1)c1ccc(F)cc1
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| InChI |
InChI=1S/C33H42F2N2O4/c1-41-33(40)29(24-8-10-27(34)11-9-24)12-7-22-13-15-36(16-14-22)19-26-20-37(31(32(38)39)17-23-5-6-23)21-30(26)25-3-2-4-28(35)18-25/h2-4,8-11,18,22-23,26,29-31H,5-7,12-17,19-21H2,1H3,(H,38,39)/t26-,29?,30+,31+/m0/s1
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| InChIKey |
QLDJHSRGZNOSDW-LENPYACBSA-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