General Information of the Compound
| Compound ID |
CP0008528
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| Compound Name |
N-[(2S,3R)-2-(pyridin-3-ylmethyl)-1-azabicyclo[2.2.2]octan-3-yl]isoquinoline-1-carboxamide
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| Structure |
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| Formula |
C23H24N4O
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| Molecular Weight |
372.472
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| Canonical SMILES |
O=C(N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1)c1nccc2ccccc12
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| InChI |
InChI=1S/C23H24N4O/c28-23(22-19-6-2-1-5-17(19)7-11-25-22)26-21-18-8-12-27(13-9-18)20(21)14-16-4-3-10-24-15-16/h1-7,10-11,15,18,20-21H,8-9,12-14H2,(H,26,28)/t20-,21+/m0/s1
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| InChIKey |
DFZYWGSBQZQYCQ-LEWJYISDSA-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