General Information of the Compound
| Compound ID |
CP0688667
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| Compound Name |
((1R,6R)-3-(9-((R)-2-hydroxy-2-(4-hydroxy-3-(methylsulfonamido)phenyl)ethylamino)nonyl)-3-azabicyclo[3.1.0]hexan-6-yl)methyl 3'-chloro-4'-hydroxybiphenyl-2-ylcarbamate
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| Formula |
C37H49ClN4O7S
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| Molecular Weight |
729.34
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| Canonical SMILES |
CS(=O)(=O)Nc1cc([C@@H](O)CNCCCCCCCCCN2C[C@@H]3[C@@H](COC(=O)Nc4ccccc4-c4ccc(O)c(Cl)c4)[C@@H]3C2)ccc1O
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| InChI |
InChI=1S/C37H49ClN4O7S/c1-50(47,48)41-33-20-26(14-16-35(33)44)36(45)21-39-17-9-5-3-2-4-6-10-18-42-22-28-29(23-42)30(28)24-49-37(46)40-32-12-8-7-11-27(32)25-13-15-34(43)31(38)19-25/h7-8,11-16,19-20,28-30,36,39,41,43-45H,2-6,9-10,17-18,21-24H2,1H3,(H,40,46)/t28-,29+,30+,36-/m0/s1
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| InChIKey |
NYJDYILKQVAKDD-XQICOKAMSA-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