General Information of the Compound
| Compound ID |
CP0147654
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| Compound Name |
5-[4-[(1R,2R)-2-[[2-fluoro-4-(tetrazol-1-yl)phenyl]methoxymethyl]cyclopropyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole
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| Structure |
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| Formula |
C22H28FN7O2
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| Molecular Weight |
441.511
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| Canonical SMILES |
CC(C)c1noc(n1)N1CCC(CC1)[C@H]1C[C@H]1COCc1ccc(cc1F)-n1cnnn1
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| InChI |
InChI=1S/C22H28FN7O2/c1-14(2)21-25-22(32-26-21)29-7-5-15(6-8-29)19-9-17(19)12-31-11-16-3-4-18(10-20(16)23)30-13-24-27-28-30/h3-4,10,13-15,17,19H,5-9,11-12H2,1-2H3/t17-,19+/m0/s1
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| InChIKey |
SYYKJWTWYPYSRR-PKOBYXMFSA-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