General Information of the Compound
| Compound ID |
CP0524892
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| Compound Name |
[(3R)-1-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-1-azoniabicyclo[2.2.2]octan-3-yl] (2R)-2-piperidin-1-yl-2-thiophen-2-ylpropanoate
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| Structure |
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| Formula |
C24H33N4O4S+
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| Molecular Weight |
473.619
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| Canonical SMILES |
C[C@@](N1CCCCC1)(C(=O)O[C@H]1C[N+]2(CC(=O)Nc3ccon3)CCC1CC2)c1cccs1
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| InChI |
InChI=1S/C24H32N4O4S/c1-24(20-6-5-15-33-20,27-10-3-2-4-11-27)23(30)32-19-16-28(12-7-18(19)8-13-28)17-22(29)25-21-9-14-31-26-21/h5-6,9,14-15,18-19H,2-4,7-8,10-13,16-17H2,1H3/p+1/t18?,19-,24-,28?/m0/s1
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| InChIKey |
STBUKKKWQRDACN-CALFJGIESA-O
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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