General Information of the Compound
| Compound ID |
CP0771494
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| Compound Name |
(R)-(3'-Chloro-4'-hydroxy-4-methyl-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 |
C37H51ClN4O7S
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| Molecular Weight |
731.356
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| Canonical SMILES |
Cc1ccc(-c2ccc(O)c(Cl)c2)c(NC(=O)OC2CCN(CCCCCCCCCNC[C@H](O)c3ccc(O)c(NS(C)(=O)=O)c3)CC2)c1
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| InChI |
InChI=1S/C37H51ClN4O7S/c1-26-10-13-30(27-11-14-34(43)31(38)23-27)32(22-26)40-37(46)49-29-16-20-42(21-17-29)19-9-7-5-3-4-6-8-18-39-25-36(45)28-12-15-35(44)33(24-28)41-50(2,47)48/h10-15,22-24,29,36,39,41,43-45H,3-9,16-21,25H2,1-2H3,(H,40,46)/t36-/m0/s1
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| InChIKey |
QUPPZULLRXQLGP-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