General Information of the Compound
| Compound ID |
CP0516077
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| Compound Name |
(2S,3S)-N-[[2-methoxy-5-(5-methylsulfanyltetrazol-1-yl)phenyl]methyl]-2-phenylpiperidin-3-amine;dihydrochloride
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| Structure |
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| Formula |
C21H28Cl2N6OS
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| Molecular Weight |
483.469
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| Canonical SMILES |
Cl.Cl.COc1ccc(cc1CN[C@H]1CCCN[C@H]1c1ccccc1)-n1nnnc1SC
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| InChI |
InChI=1S/C21H26N6OS.2ClH/c1-28-19-11-10-17(27-21(29-2)24-25-26-27)13-16(19)14-23-18-9-6-12-22-20(18)15-7-4-3-5-8-15;;/h3-5,7-8,10-11,13,18,20,22-23H,6,9,12,14H2,1-2H3;2*1H/t18-,20-;;/m0../s1
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| InChIKey |
JUWDPUFDXXOCEJ-OINVMNEBSA-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