General Information of the Compound
| Compound ID |
CP0853728
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| Compound Name |
4-Methyl-piperidine-1-sulfonic acid {4-[2-((R)-2-hydroxy-2-pyridin-3-yl-ethylamino)-ethyl]-phenyl}-amide dihydrochloride
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| Structure |
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| Formula |
C21H32Cl2N4O3S
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| Molecular Weight |
491.485
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| Canonical SMILES |
CC1CCN(S(=O)(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)CC1.Cl.Cl
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| InChI |
InChI=1S/C21H30N4O3S.2ClH/c1-17-9-13-25(14-10-17)29(27,28)24-20-6-4-18(5-7-20)8-12-23-16-21(26)19-3-2-11-22-15-19;;/h2-7,11,15,17,21,23-24,26H,8-10,12-14,16H2,1H3;2*1H/t21-;;/m0../s1
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| InChIKey |
DTVLHIOPADYVEK-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