General Information of the Compound
| Compound ID |
CP0761844
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| Compound Name |
(R)-(3'-Chloro-4'-hydroxy-biphenyl-2-yl)-carbamic acid 1-[3-(4-{2-[2-hydroxy-2-(4-hydroxy-3-methanesulfonylamino-phenyl)-ethylamino]-ethyl}-phenoxy)-propyl]-piperidin-4-yl ester
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| Structure |
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| Formula |
C38H45ClN4O8S
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| Molecular Weight |
753.318
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| Canonical SMILES |
CS(=O)(=O)Nc1cc([C@@H](O)CNCCc2ccc(OCCCN3CCC(OC(=O)Nc4ccccc4-c4ccc(O)c(Cl)c4)CC3)cc2)ccc1O
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| InChI |
InChI=1S/C38H45ClN4O8S/c1-52(48,49)42-34-24-28(10-14-36(34)45)37(46)25-40-18-15-26-7-11-29(12-8-26)50-22-4-19-43-20-16-30(17-21-43)51-38(47)41-33-6-3-2-5-31(33)27-9-13-35(44)32(39)23-27/h2-3,5-14,23-24,30,37,40,42,44-46H,4,15-22,25H2,1H3,(H,41,47)/t37-/m0/s1
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| InChIKey |
OLQVXOXGEMTERL-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