General Information of the Compound
| Compound ID |
CP0397992
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| Compound Name |
4-(3-tert-Butyl-benzyloxymethyl)-4-phenyl-piperidine
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| Structure |
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| Formula |
C23H31NO
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| Molecular Weight |
337.507
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| Canonical SMILES |
CC(C)(C)c1cccc(COCC2(CCNCC2)c2ccccc2)c1
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| InChI |
InChI=1S/C23H31NO/c1-22(2,3)21-11-7-8-19(16-21)17-25-18-23(12-14-24-15-13-23)20-9-5-4-6-10-20/h4-11,16,24H,12-15,17-18H2,1-3H3
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| InChIKey |
PBPFNJZSYGEZNI-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