General Information of the Compound
| Compound ID |
CP0505707
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| Compound Name |
4-[5-(2-methoxyphenoxy)-2-morpholin-4-yl-6-[(5-propan-2-ylpyridin-2-yl)sulfonylamino]pyrimidin-4-yl]oxybut-2-ynyl N-phenylcarbamate
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| Structure |
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| Formula |
C34H36N6O8S
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| Molecular Weight |
688.763
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| Canonical SMILES |
COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(cn2)C(C)C)nc(nc1OCC#CCOC(=O)Nc1ccccc1)N1CCOCC1
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| InChI |
InChI=1S/C34H36N6O8S/c1-24(2)25-15-16-29(35-23-25)49(42,43)39-31-30(48-28-14-8-7-13-27(28)44-3)32(38-33(37-31)40-17-21-45-22-18-40)46-19-9-10-20-47-34(41)36-26-11-5-4-6-12-26/h4-8,11-16,23-24H,17-22H2,1-3H3,(H,36,41)(H,37,38,39)
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| InChIKey |
XSAFCBSWMREXMT-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