General Information of the Compound
| Compound ID |
CP0462990
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| Compound Name |
4-(2-aza-bicyclo[2.2.1]heptan-2-ylmethyl)-N-(2-methoxyphenethyl)-N-(pyrrolidin-3-yl)benzamide
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| Structure |
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| Formula |
C27H35N3O2
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| Molecular Weight |
433.596
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| Canonical SMILES |
COc1ccccc1CCN(C1CCNC1)C(=O)c1ccc(CN2CC3CCC2C3)cc1
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| InChI |
InChI=1S/C27H35N3O2/c1-32-26-5-3-2-4-22(26)13-15-30(25-12-14-28-17-25)27(31)23-9-6-20(7-10-23)18-29-19-21-8-11-24(29)16-21/h2-7,9-10,21,24-25,28H,8,11-19H2,1H3
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| InChIKey |
QSLYLGFILBHTHP-UHFFFAOYSA-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