General Information of the Compound
| Compound ID |
CP0443582
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| Compound Name |
4-[[2-methoxy-5-(5-methyltetrazol-1-yl)phenyl]methoxymethyl]-4-phenylpiperidine
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| Structure |
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| Formula |
C22H27N5O2
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| Molecular Weight |
393.491
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| Canonical SMILES |
COc1ccc(cc1COCC1(CCNCC1)c1ccccc1)-n1nnnc1C
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| InChI |
InChI=1S/C22H27N5O2/c1-17-24-25-26-27(17)20-8-9-21(28-2)18(14-20)15-29-16-22(10-12-23-13-11-22)19-6-4-3-5-7-19/h3-9,14,23H,10-13,15-16H2,1-2H3
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| InChIKey |
CTRCKPCRPOVKKX-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