General Information of the Compound
| Compound ID |
CP0529598
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| Compound Name |
(2S,3S)-N-[[5-(5-aminotetrazol-1-yl)-2-methoxyphenyl]methyl]-2-phenylpiperidin-3-amine;dihydrochloride
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| Structure |
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| Formula |
C20H27Cl2N7O
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| Molecular Weight |
452.39
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| Canonical SMILES |
Cl.Cl.COc1ccc(cc1CN[C@H]1CCCN[C@H]1c1ccccc1)-n1nnnc1N
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| InChI |
InChI=1S/C20H25N7O.2ClH/c1-28-18-10-9-16(27-20(21)24-25-26-27)12-15(18)13-23-17-8-5-11-22-19(17)14-6-3-2-4-7-14;;/h2-4,6-7,9-10,12,17,19,22-23H,5,8,11,13H2,1H3,(H2,21,24,26);2*1H/t17-,19-;;/m0../s1
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| InChIKey |
BNLZAMPFYQUHGF-FFUVTKDNSA-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