General Information of the Compound
| Compound ID |
CP0423706
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| Compound Name |
N-[5-(2-methoxyphenoxy)-2-pyrimidin-2-yl-6-[2-[5-(trifluoromethyl)pyrimidin-2-yl]oxyethoxy]pyrimidin-4-yl]-2-phenylethanesulfonamide
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| Structure |
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| Formula |
C30H26F3N7O6S
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| Molecular Weight |
669.642
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| Canonical SMILES |
COc1ccccc1Oc1c(NS(=O)(=O)CCc2ccccc2)nc(nc1OCCOc1ncc(cn1)C(F)(F)F)-c1ncccn1
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| InChI |
InChI=1S/C30H26F3N7O6S/c1-43-22-10-5-6-11-23(22)46-24-25(40-47(41,42)17-12-20-8-3-2-4-9-20)38-27(26-34-13-7-14-35-26)39-28(24)44-15-16-45-29-36-18-21(19-37-29)30(31,32)33/h2-11,13-14,18-19H,12,15-17H2,1H3,(H,38,39,40)
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| InChIKey |
BTPMMVWQHRCMQR-UHFFFAOYSA-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
Protein ID: PT01783, Endothelin receptor type B
Protein ID: PT01372, Endothelin-1 receptor