General Information of the Compound
| Compound ID |
CP0463732
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| Compound Name |
(2S,3S)-N-[[2-methoxy-5-(5-phenyltetrazol-1-yl)phenyl]methyl]-2-phenylpiperidin-3-amine;dihydrochloride
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| Structure |
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| Formula |
C26H30Cl2N6O
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| Molecular Weight |
513.473
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| Canonical SMILES |
Cl.Cl.COc1ccc(cc1CN[C@H]1CCCN[C@H]1c1ccccc1)-n1nnnc1-c1ccccc1
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| InChI |
InChI=1S/C26H28N6O.2ClH/c1-33-24-15-14-22(32-26(29-30-31-32)20-11-6-3-7-12-20)17-21(24)18-28-23-13-8-16-27-25(23)19-9-4-2-5-10-19;;/h2-7,9-12,14-15,17,23,25,27-28H,8,13,16,18H2,1H3;2*1H/t23-,25-;;/m0../s1
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| InChIKey |
RQMGJBDERZERBV-WYBXAQPNSA-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