General Information of the Compound
| Compound ID |
CP0460270
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| Compound Name |
(2R)-3-cyclopropyl-2-((3S,4S)-3-(3-fluorophenyl)-4-((4-(3-(4-fluorophenyl)-4-hydroxybutyl)piperidin-1-yl)methyl)pyrrolidin-1-yl)propanoic acid
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| Structure |
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| Formula |
C32H42F2N2O3
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| Molecular Weight |
540.695
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| Canonical SMILES |
OCC(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/C32H42F2N2O3/c33-28-10-8-24(9-11-28)26(21-37)7-6-22-12-14-35(15-13-22)18-27-19-36(31(32(38)39)16-23-4-5-23)20-30(27)25-2-1-3-29(34)17-25/h1-3,8-11,17,22-23,26-27,30-31,37H,4-7,12-16,18-21H2,(H,38,39)/t26?,27-,30+,31+/m0/s1
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| InChIKey |
NMMHDJMVQJIRJO-KMXYOEAISA-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