General Information of the Compound
| Compound ID |
CP0950698
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| Compound Name |
4-Phenyl-piperidine-1-sulfonic acid {4-[2-((R)-2-hydroxy-2-pyridin-3-yl-ethylamino)-2-methyl-propyl]-phenyl}-amide dihydrochloride
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| Structure |
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| Formula |
C28H38Cl2N4O3S
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| Molecular Weight |
581.61
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| Canonical SMILES |
CC(C)(Cc1ccc(NS(=O)(=O)N2CCC(c3ccccc3)CC2)cc1)NC[C@H](O)c1cccnc1.Cl.Cl
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| InChI |
InChI=1S/C28H36N4O3S.2ClH/c1-28(2,30-21-27(33)25-9-6-16-29-20-25)19-22-10-12-26(13-11-22)31-36(34,35)32-17-14-24(15-18-32)23-7-4-3-5-8-23;;/h3-13,16,20,24,27,30-31,33H,14-15,17-19,21H2,1-2H3;2*1H/t27-;;/m0../s1
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| InChIKey |
FZFFZAQYCCWUBQ-LPCSYZHESA-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