General Information of the Compound
| Compound ID |
CP0850840
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| Compound Name |
exo-8-Benzoyl-3-[[[(5-methylpyridin-2-yl)methyl]amino]methyl]-8-azabicyclo[3.2.1]octan-3-ol (exo-CH2)
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| Formula |
C22H27N3O2
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| Molecular Weight |
365.477
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| Canonical SMILES |
Cc1ccc(CNC[C@@]2(O)C[C@H]3CC[C@@H](C2)N3C(=O)c2ccccc2)nc1
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| InChI |
InChI=1S/C22H27N3O2/c1-16-7-8-18(24-13-16)14-23-15-22(27)11-19-9-10-20(12-22)25(19)21(26)17-5-3-2-4-6-17/h2-8,13,19-20,23,27H,9-12,14-15H2,1H3/t19-,20+,22-
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| InChIKey |
BUAVLZBGBXSSBR-VTYHHJSWSA-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