General Information of the Compound
| Compound ID |
CP0490164
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| Compound Name |
(R)-Cyclohexyl-[(3S,4S)-3-{4-[2-(4-fluoro-benzenesulfonyl)-ethyl]-piperidin-1-ylmethyl}-4-(3-fluoro-phenyl)-pyrrolidin-1-yl]-acetic acid
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| Structure |
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| Formula |
C32H42F2N2O4S
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| Molecular Weight |
588.761
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| Canonical SMILES |
OC(=O)[C@@H](C1CCCCC1)N1C[C@H](CN2CCC(CCS(=O)(=O)c3ccc(F)cc3)CC2)[C@H](C1)c1cccc(F)c1
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| InChI |
InChI=1S/C32H42F2N2O4S/c33-27-9-11-29(12-10-27)41(39,40)18-15-23-13-16-35(17-14-23)20-26-21-36(22-30(26)25-7-4-8-28(34)19-25)31(32(37)38)24-5-2-1-3-6-24/h4,7-12,19,23-24,26,30-31H,1-3,5-6,13-18,20-22H2,(H,37,38)/t26-,30+,31+/m0/s1
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| InChIKey |
HNGKQKBNYUXDJL-MAJWKWKESA-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