General Information of the Compound
| Compound ID |
CP0903933
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| Compound Name |
(R)-Biphenyl-2-yl-carbamic acid 1-{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 |
C36H50N4O6S
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| Molecular Weight |
666.885
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| Canonical SMILES |
CS(=O)(=O)Nc1cc([C@@H](O)CNCCCCCCCCCN2CCC(OC(=O)Nc3ccccc3-c3ccccc3)CC2)ccc1O
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| InChI |
InChI=1S/C36H50N4O6S/c1-47(44,45)39-33-26-29(18-19-34(33)41)35(42)27-37-22-12-5-3-2-4-6-13-23-40-24-20-30(21-25-40)46-36(43)38-32-17-11-10-16-31(32)28-14-8-7-9-15-28/h7-11,14-19,26,30,35,37,39,41-42H,2-6,12-13,20-25,27H2,1H3,(H,38,43)/t35-/m0/s1
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| InChIKey |
MHCLZKGUUFRJCO-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