General Information of the Compound
| Compound ID |
CP0415199
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| Compound Name |
ACT-064992
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| Synonyms |
(non-labelled)Macitentan-d7
441798-33-0
ACT 064992
ACT-064992
ACT064992
Actelion-1
C19H20Br2N6O4S
CHEBI:76607
CHEMBL2103873
DTXSID50196063
EX-A544
GTPL7352
MLS006011174
Macitentan
Macitentan (JAN/USAN)
Macitentan [USAN:INN]
N-(5-(4-Bromophenyl)-6-(2-((5-bromo-2-pyrimidinyl)oxy)ethoxy)-4-pyrimidinyl)-N'-propylsulfamide
N-[5-(4-Bromophenyl)-6-[2-[(5-bromo-2-pyrimidinyl)oxy]ethoxy]-4-pyrimidinyl]-N'-propylsulfamide
Opsumit
Opsumit (TN)
SCHEMBL1445625
UNII-Z9K9Y9WMVL
Z9K9Y9WMVL
ZLA0005
macitentanum
zlchem 5
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| Structure |
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| Formula |
C19H20Br2N6O4S
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| Molecular Weight |
588.282
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| Canonical SMILES |
CCCNS(=O)(=O)Nc1ncnc(OCCOc2ncc(Br)cn2)c1-c1ccc(Br)cc1
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| InChI |
InChI=1S/C19H20Br2N6O4S/c1-2-7-26-32(28,29)27-17-16(13-3-5-14(20)6-4-13)18(25-12-24-17)30-8-9-31-19-22-10-15(21)11-23-19/h3-6,10-12,26H,2,7-9H2,1H3,(H,24,25,27)
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| InChIKey |
JGCMEBMXRHSZKX-UHFFFAOYSA-N
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| CAS |
441798-33-0
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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
Clinical Information about the Compound