General Information of the Compound
| Compound ID |
CP0498685
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| Compound Name |
tert-butyl 4-(1-pyridin-3-ylpiperidin-4-yl)piperidine-1-carboxylate
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| Synonyms |
BDBM50342664
GTPL5745
PMID21273063C1
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| Structure |
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| Formula |
C20H31N3O2
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| Molecular Weight |
345.487
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| Canonical SMILES |
CC(C)(C)OC(=O)N1CCC(CC1)C1CCN(CC1)c1cccnc1
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| InChI |
InChI=1S/C20H31N3O2/c1-20(2,3)25-19(24)23-13-8-17(9-14-23)16-6-11-22(12-7-16)18-5-4-10-21-15-18/h4-5,10,15-17H,6-9,11-14H2,1-3H3
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| InChIKey |
CRZGKAWVJIDZPZ-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
Clinical Information about the Compound