General Information of the Compound
| Compound ID |
CP0847311
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| Compound Name |
4-Methyl-piperidine-1-sulfonic acid {4-[2-((R)-2-hydroxy-2-pyridin-3-yl-ethylamino)-ethoxy]-phenyl}-amide dihydrochloride
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| Structure |
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| Formula |
C21H32Cl2N4O4S
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| Molecular Weight |
507.484
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| Canonical SMILES |
CC1CCN(S(=O)(=O)Nc2ccc(OCCNC[C@H](O)c3cccnc3)cc2)CC1.Cl.Cl
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| InChI |
InChI=1S/C21H30N4O4S.2ClH/c1-17-8-12-25(13-9-17)30(27,28)24-19-4-6-20(7-5-19)29-14-11-23-16-21(26)18-3-2-10-22-15-18;;/h2-7,10,15,17,21,23-24,26H,8-9,11-14,16H2,1H3;2*1H/t21-;;/m0../s1
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| InChIKey |
ZKVFTNYZYXVGDT-FGJQBABTSA-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