General Information of the Compound
| Compound ID |
CP0673933
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| Compound Name |
(R)-(3'-Chloro-4'-hydroxy-biphenyl-2-yl)-carbamic acid 1-{11-[2-hydroxy-2-(4-hydroxy-3-methanesulfonylamino-phenyl)-ethylamino]-undecyl}-piperidin-4-yl ester
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| Structure |
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| Formula |
C38H53ClN4O7S
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| Molecular Weight |
745.383
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| Canonical SMILES |
CS(=O)(=O)Nc1cc([C@@H](O)CNCCCCCCCCCCCN2CCC(OC(=O)Nc3ccccc3-c3ccc(O)c(Cl)c3)CC2)ccc1O
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| InChI |
InChI=1S/C38H53ClN4O7S/c1-51(48,49)42-34-26-29(16-18-36(34)45)37(46)27-40-21-11-7-5-3-2-4-6-8-12-22-43-23-19-30(20-24-43)50-38(47)41-33-14-10-9-13-31(33)28-15-17-35(44)32(39)25-28/h9-10,13-18,25-26,30,37,40,42,44-46H,2-8,11-12,19-24,27H2,1H3,(H,41,47)/t37-/m0/s1
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| InChIKey |
LVPZMNAGJCNTKS-QNGWXLTQSA-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