General Information of the Compound
| Compound ID |
CP0376442
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| Compound Name |
5-Methyl-pyridine-2-sulfonic acid [2-cyclopropyl-6-(2-ethanesulfonylamino-ethoxy)-5-(2-methoxy-phenoxy)-pyrimidin-4-yl]-amide
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| Structure |
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| Formula |
C24H29N5O7S2
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| Molecular Weight |
563.658
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| Canonical SMILES |
CCS(=O)(=O)NCCOc1nc(nc(NS(=O)(=O)c2ccc(C)cn2)c1Oc1ccccc1OC)C1CC1
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| InChI |
InChI=1S/C24H29N5O7S2/c1-4-37(30,31)26-13-14-35-24-21(36-19-8-6-5-7-18(19)34-3)23(27-22(28-24)17-10-11-17)29-38(32,33)20-12-9-16(2)15-25-20/h5-9,12,15,17,26H,4,10-11,13-14H2,1-3H3,(H,27,28,29)
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| InChIKey |
VKVKIDBOTDIUCJ-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