General Information of the Compound
| Compound ID |
CP0761842
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| Compound Name |
(R)-(3'-Chloro-4'-hydroxy-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 |
C36H49ClN4O7S
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| Molecular Weight |
717.329
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| Canonical SMILES |
CS(=O)(=O)Nc1cc([C@@H](O)CNCCCCCCCCCN2CCC(OC(=O)Nc3ccccc3-c3ccc(O)c(Cl)c3)CC2)ccc1O
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| InChI |
InChI=1S/C36H49ClN4O7S/c1-49(46,47)40-32-24-27(14-16-34(32)43)35(44)25-38-19-9-5-3-2-4-6-10-20-41-21-17-28(18-22-41)48-36(45)39-31-12-8-7-11-29(31)26-13-15-33(42)30(37)23-26/h7-8,11-16,23-24,28,35,38,40,42-44H,2-6,9-10,17-22,25H2,1H3,(H,39,45)/t35-/m0/s1
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| InChIKey |
NLEWMFKEAMXROY-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