General Information of the Compound
| Compound ID |
CP0004234
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| Compound Name |
4-phenyl-N-[(2S,3R)-2-(pyridin-3-ylmethyl)-1-azabicyclo[2.2.2]octan-3-yl]thiophene-2-carboxamide
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| Structure |
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| Formula |
C24H25N3OS
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| Molecular Weight |
403.551
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| Canonical SMILES |
O=C(N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1)c1cc(cs1)-c1ccccc1
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| InChI |
InChI=1S/C24H25N3OS/c28-24(22-14-20(16-29-22)18-6-2-1-3-7-18)26-23-19-8-11-27(12-9-19)21(23)13-17-5-4-10-25-15-17/h1-7,10,14-16,19,21,23H,8-9,11-13H2,(H,26,28)/t21-,23+/m0/s1
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| InChIKey |
SEEDHMYNYINGPE-JTHBVZDNSA-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