General Information of the Compound
| Compound ID |
CP0490454
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| Compound Name |
(R)-3-Cyclobutyl-2-((S)-3-(3-fluoro-phenyl)-4-{4-[3-(4-fluoro-phenyl)-propyl]-piperidin-1-ylmethyl}-pyrrolidin-1-yl)-propionic acid
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| Structure |
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| Formula |
C32H42F2N2O2
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| Molecular Weight |
524.696
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| Canonical SMILES |
OC(=O)[C@@H](CC1CCC1)N1C[C@H](CN2CCC(CCCc3ccc(F)cc3)CC2)[C@H](C1)c1cccc(F)c1
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| InChI |
InChI=1S/C32H42F2N2O2/c33-28-12-10-23(11-13-28)4-1-5-24-14-16-35(17-15-24)20-27-21-36(31(32(37)38)18-25-6-2-7-25)22-30(27)26-8-3-9-29(34)19-26/h3,8-13,19,24-25,27,30-31H,1-2,4-7,14-18,20-22H2,(H,37,38)/t27-,30+,31+/m0/s1
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| InChIKey |
WPQUSTXDJJWMBZ-LXLYTFERSA-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