General Information of the Compound
| Compound ID |
CP0416013
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| Compound Name |
((6S,7S)-7-Benzhydryl-1-aza-bicyclo[3.2.2]non-6-yl)-(2,4-dimethoxy-benzyl)-amine
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| Structure |
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| Formula |
C30H36N2O2
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| Molecular Weight |
456.63
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| Canonical SMILES |
COc1ccc(CN[C@H]2C3CCN(CCC3)[C@H]2C(c2ccccc2)c2ccccc2)c(OC)c1
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| InChI |
InChI=1S/C30H36N2O2/c1-33-26-16-15-25(27(20-26)34-2)21-31-29-24-14-9-18-32(19-17-24)30(29)28(22-10-5-3-6-11-22)23-12-7-4-8-13-23/h3-8,10-13,15-16,20,24,28-31H,9,14,17-19,21H2,1-2H3/t24?,29-,30-/m0/s1
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| InChIKey |
JVHAYPAHYRTCJS-WVQMWBIHSA-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