General Information of the Compound
| Compound ID |
CP0881304
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| Compound Name |
(2',5'-Difluoro-4'-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 |
C36H48F2N4O7S
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| Molecular Weight |
718.864
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| Canonical SMILES |
CS(=O)(=O)Nc1cc([C@@H](O)CNCCCCCCCCCN2CCC(OC(=O)Nc3ccccc3-c3cc(F)c(O)cc3F)CC2)ccc1O
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| InChI |
InChI=1S/C36H48F2N4O7S/c1-50(47,48)41-32-21-25(13-14-33(32)43)35(45)24-39-17-9-5-3-2-4-6-10-18-42-19-15-26(16-20-42)49-36(46)40-31-12-8-7-11-27(31)28-22-30(38)34(44)23-29(28)37/h7-8,11-14,21-23,26,35,39,41,43-45H,2-6,9-10,15-20,24H2,1H3,(H,40,46)/t35-/m0/s1
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| InChIKey |
PBXXNFYJZUROSJ-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