General Information of the Compound
| Compound ID |
CP0691421
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| Compound Name |
(2'-Hydroxy-biphenyl-2-yl)-carbamic acid 1-{(R)-9-[2-hydroxy-2-(4-hydroxy-3-methanesulfonylamino-phenyl)-ethylamino]-nonyl}-piperidin-4-yl ester
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| Structure |
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| Formula |
C36H50N4O7S
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| Molecular Weight |
682.884
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| Canonical SMILES |
CS(=O)(=O)Nc1cc([C@@H](O)CNCCCCCCCCCN2CCC(OC(=O)Nc3ccccc3-c3ccccc3O)CC2)ccc1O
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| InChI |
InChI=1S/C36H50N4O7S/c1-48(45,46)39-32-25-27(17-18-34(32)42)35(43)26-37-21-11-5-3-2-4-6-12-22-40-23-19-28(20-24-40)47-36(44)38-31-15-9-7-13-29(31)30-14-8-10-16-33(30)41/h7-10,13-18,25,28,35,37,39,41-43H,2-6,11-12,19-24,26H2,1H3,(H,38,44)/t35-/m0/s1
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| InChIKey |
HJDXDXHHUVMBAQ-DHUJRADRSA-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