General Information of the Compound
| Compound ID |
CP0716118
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| Compound Name |
(R)-(3'-Chloro-4'-hydroxy-biphenyl-2-yl)-carbamic acid 1-{8-[2-hydroxy-2-(4-hydroxy-3-methanesulfonylamino-phenyl)-ethylamino]-octyl}-piperidin-4-yl ester
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| Structure |
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| Formula |
C35H47ClN4O7S
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| Molecular Weight |
703.302
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| Canonical SMILES |
CS(=O)(=O)Nc1cc([C@@H](O)CNCCCCCCCCN2CCC(OC(=O)Nc3ccccc3-c3ccc(O)c(Cl)c3)CC2)ccc1O
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| InChI |
InChI=1S/C35H47ClN4O7S/c1-48(45,46)39-31-23-26(13-15-33(31)42)34(43)24-37-18-8-4-2-3-5-9-19-40-20-16-27(17-21-40)47-35(44)38-30-11-7-6-10-28(30)25-12-14-32(41)29(36)22-25/h6-7,10-15,22-23,27,34,37,39,41-43H,2-5,8-9,16-21,24H2,1H3,(H,38,44)/t34-/m0/s1
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| InChIKey |
NKHXRZSJUJKIDV-UMSFTDKQSA-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