General Information of the Compound
| Compound ID |
CP0869578
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| Compound Name |
4-Phenyl-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 |
C26H34Cl2N4O3S
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| Molecular Weight |
553.556
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| Canonical SMILES |
Cl.Cl.O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)N1CCC(c2ccccc2)CC1
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| InChI |
InChI=1S/C26H32N4O3S.2ClH/c31-26(24-7-4-15-27-19-24)20-28-16-12-21-8-10-25(11-9-21)29-34(32,33)30-17-13-23(14-18-30)22-5-2-1-3-6-22;;/h1-11,15,19,23,26,28-29,31H,12-14,16-18,20H2;2*1H/t26-;;/m0../s1
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| InChIKey |
HJIBFXCWQBZLGR-ROPHLPQBSA-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