General Information of the Compound
| Compound ID |
CP0877793
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| Compound Name |
N-[(3R)-1-azabicyclo[2.2.2]oct-3-yl]-5-phenylthiophene-2-carboxamide acetate
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| Structure |
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| Formula |
C20H24N2O3S
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| Molecular Weight |
372.49
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| Canonical SMILES |
CC(=O)O.O=C(N[C@H]1CN2CCC1CC2)c1ccc(-c2ccccc2)s1
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| InChI |
InChI=1S/C18H20N2OS.C2H4O2/c21-18(19-15-12-20-10-8-13(15)9-11-20)17-7-6-16(22-17)14-4-2-1-3-5-14;1-2(3)4/h1-7,13,15H,8-12H2,(H,19,21);1H3,(H,3,4)/t15-;/m0./s1
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| InChIKey |
NYEXZNIFVRLHBH-RSAXXLAASA-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