General Information of the Compound
| Compound ID |
CP0421367
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| Compound Name |
(5S,9S)-4-[(2-methoxyphenyl)methyl]-9-phenyl-1,4-diazabicyclo[3.3.1]nonane
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| Structure |
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| Formula |
C21H26N2O
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| Molecular Weight |
322.452
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| Canonical SMILES |
COc1ccccc1CN1CCN2CCC[C@H]1[C@@H]2c1ccccc1
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| InChI |
InChI=1S/C21H26N2O/c1-24-20-12-6-5-10-18(20)16-23-15-14-22-13-7-11-19(23)21(22)17-8-3-2-4-9-17/h2-6,8-10,12,19,21H,7,11,13-16H2,1H3/t19-,21-/m0/s1
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| InChIKey |
ZQRROFVJVGJKSH-FPOVZHCZSA-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