General Information of the Compound
| Compound ID |
CP0841972
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| Compound Name |
(R)-1-(9-((R)-2-hydroxy-2-(4-hydroxy-3-(methylsulfonamido)phenyl)ethylamino)nonyl)pyrrolidin-3-yl 3'-chloro-4'-hydroxybiphenyl-2-ylcarbamate
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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)CNCCCCCCCCCN2CC[C@@H](OC(=O)Nc3ccccc3-c3ccc(O)c(Cl)c3)C2)ccc1O
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| InChI |
InChI=1S/C35H47ClN4O7S/c1-48(45,46)39-31-22-26(14-16-33(31)42)34(43)23-37-18-9-5-3-2-4-6-10-19-40-20-17-27(24-40)47-35(44)38-30-12-8-7-11-28(30)25-13-15-32(41)29(36)21-25/h7-8,11-16,21-22,27,34,37,39,41-43H,2-6,9-10,17-20,23-24H2,1H3,(H,38,44)/t27-,34+/m1/s1
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| InChIKey |
MSAQGVKTRRVSDT-YJNPBZNESA-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