General Information of the Compound
| Compound ID |
CP0463082
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| Compound Name |
4-[[3-(5-methyltetrazol-1-yl)-5-(trifluoromethyl)phenyl]methoxymethyl]-4-phenylpiperidine
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| Structure |
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| Formula |
C22H24F3N5O
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| Molecular Weight |
431.462
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| Canonical SMILES |
Cc1nnnn1-c1cc(COCC2(CCNCC2)c2ccccc2)cc(c1)C(F)(F)F
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| InChI |
InChI=1S/C22H24F3N5O/c1-16-27-28-29-30(16)20-12-17(11-19(13-20)22(23,24)25)14-31-15-21(7-9-26-10-8-21)18-5-3-2-4-6-18/h2-6,11-13,26H,7-10,14-15H2,1H3
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| InChIKey |
INGFJIBWWUNNQL-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