General Information of the Compound
| Compound ID |
CP0919461
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| Compound Name |
4-Methyl-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 |
C23H36Cl2N4O3S
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| Molecular Weight |
519.539
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| Canonical SMILES |
CC1CCN(S(=O)(=O)Nc2ccc(CC(C)(C)NC[C@H](O)c3cccnc3)cc2)CC1.Cl.Cl
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| InChI |
InChI=1S/C23H34N4O3S.2ClH/c1-18-10-13-27(14-11-18)31(29,30)26-21-8-6-19(7-9-21)15-23(2,3)25-17-22(28)20-5-4-12-24-16-20;;/h4-9,12,16,18,22,25-26,28H,10-11,13-15,17H2,1-3H3;2*1H/t22-;;/m0../s1
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| InChIKey |
LGGCOAZANGHGPK-IKXQUJFKSA-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