General Information of the Compound
| Compound ID |
CP0509116
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| Compound Name |
(2S,3S)-N-[[5-(5-ethyltetrazol-1-yl)-2-methoxyphenyl]methyl]-2-phenylpiperidin-3-amine;dihydrochloride
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| Structure |
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| Formula |
C22H30Cl2N6O
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| Molecular Weight |
465.429
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| Canonical SMILES |
Cl.Cl.CCc1nnnn1-c1ccc(OC)c(CN[C@H]2CCCN[C@H]2c2ccccc2)c1
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| InChI |
InChI=1S/C22H28N6O.2ClH/c1-3-21-25-26-27-28(21)18-11-12-20(29-2)17(14-18)15-24-19-10-7-13-23-22(19)16-8-5-4-6-9-16;;/h4-6,8-9,11-12,14,19,22-24H,3,7,10,13,15H2,1-2H3;2*1H/t19-,22-;;/m0../s1
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| InChIKey |
UJTIPVXREXIGKW-VVJLZRNGSA-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