General Information of the Compound
| Compound ID |
CP0659243
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| Compound Name |
(R)-(3'-Chloro-4'-hydroxy-biphenyl-2-yl)-carbamic acid 1-{10-[2-hydroxy-2-(4-hydroxy-3-methanesulfonylamino-phenyl)-ethylamino]-decyl}-piperidin-4-yl ester
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| Structure |
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| Formula |
C37H51ClN4O7S
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| Molecular Weight |
731.356
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| Canonical SMILES |
CS(=O)(=O)Nc1cc([C@@H](O)CNCCCCCCCCCCN2CCC(OC(=O)Nc3ccccc3-c3ccc(O)c(Cl)c3)CC2)ccc1O
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| InChI |
InChI=1S/C37H51ClN4O7S/c1-50(47,48)41-33-25-28(15-17-35(33)44)36(45)26-39-20-10-6-4-2-3-5-7-11-21-42-22-18-29(19-23-42)49-37(46)40-32-13-9-8-12-30(32)27-14-16-34(43)31(38)24-27/h8-9,12-17,24-25,29,36,39,41,43-45H,2-7,10-11,18-23,26H2,1H3,(H,40,46)/t36-/m0/s1
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| InChIKey |
QKMFQEAWWXOBAM-BHVANESWSA-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