General Information of the Compound
| Compound ID |
CP0525089
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| Compound Name |
[(3R)-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-1-azoniabicyclo[2.2.2]octan-3-yl] (2S)-2-phenyl-2-piperidin-1-ylpropanoate
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| Structure |
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| Formula |
C30H37N4O3+
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| Molecular Weight |
501.651
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| Canonical SMILES |
C[C@@](N1CCCCC1)(C(=O)O[C@H]1C[N+]2(Cc3nc(no3)-c3ccccc3)CCC1CC2)c1ccccc1
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| InChI |
InChI=1S/C30H37N4O3/c1-30(25-13-7-3-8-14-25,33-17-9-4-10-18-33)29(35)36-26-21-34(19-15-23(26)16-20-34)22-27-31-28(32-37-27)24-11-5-2-6-12-24/h2-3,5-8,11-14,23,26H,4,9-10,15-22H2,1H3/q+1/t23?,26-,30-,34?/m0/s1
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| InChIKey |
KBKMJOUMILUGRZ-DAUOMQBBSA-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