General Information of the Compound
| Compound ID |
CP0677104
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| Compound Name |
(R)-(3'-Chloro-4'-hydroxy-biphenyl-2-yl)-carbamic acid 8-{9-[2-hydroxy-2-(4-hydroxy-3-methanesulfonylaminophenyl)-ethylamino]-nonyl}-8-azabicyclo[3.2.1]oct-3-yl ester
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| Structure |
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| Formula |
C38H51ClN4O7S
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| Molecular Weight |
743.367
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| Canonical SMILES |
CS(=O)(=O)Nc1cc([C@@H](O)CNCCCCCCCCCN2C3CCC2CC(OC(=O)Nc2ccccc2-c2ccc(O)c(Cl)c2)C3)ccc1O
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| InChI |
InChI=1S/C38H51ClN4O7S/c1-51(48,49)42-34-22-27(14-18-36(34)45)37(46)25-40-19-9-5-3-2-4-6-10-20-43-28-15-16-29(43)24-30(23-28)50-38(47)41-33-12-8-7-11-31(33)26-13-17-35(44)32(39)21-26/h7-8,11-14,17-18,21-22,28-30,37,40,42,44-46H,2-6,9-10,15-16,19-20,23-25H2,1H3,(H,41,47)/t28?,29?,30?,37-/m0/s1
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| InChIKey |
YUFFZHVXHZKZLX-SCAWEBRLSA-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