TMC647055
28-cyclohexyl-22-methoxy-10,16-dimethyl-9,9-dioxo-13-oxa-9lambda6-thia-1,8,10,16-tetrazapentacyclo[16.8.1.12,6.13,26.020,25]nonacosa-2,4,6(29),18,20(25),21,23,26(28)-octaene-7,17-dione
Molecular Identity
TMC647055
28-cyclohexyl-22-methoxy-10,16-dimethyl-9,9-dioxo-13-oxa-9lambda6-thia-1,8,10,16-tetrazapentacyclo[16.8.1.12,6.13,26.020,25]nonacosa-2,4,6(29),18,20(25),21,23,26(28)-octaene-7,17-dione
PubChem CID: 44556044
2D Structure
Properties
C32H38N4O6S
Molecular Formula
606.70
Molecular Weight
g/mol
606.2512
Exact Mass
Da
4.2
XLogP
Drug-like (Lipinski: < 5)
119
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
7
H-Bond Acceptors
1170
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
TMC647055TMC-647055TMC 647055UNII-11BD024G7J11BD024G7J2,19-Methano-3,7:4,1-dimetheno-1H,11H-14,10,2,9,11,17-benzoxathiatetraazacyclodocosine-8,18(9H,15H)-dione, 27-cyclohexyl-12,13,16,17-tetrahydro-22-methoxy-11,17-dimethyl-, 10,10-dioxideDTXSID9015286028-cyclohexyl-22-methoxy-10,16-dimethyl-13-oxa-9lambda6-thia-1,8,10,16-tetraazapentacyclo(16.8.1.1^(2,6).1^(3,26).0^(20,25))nonacosa-2(29),3,5,18,20,22,24,26(28)-octaene-7,9,9,17-tetrone28-cyclohexyl-22-methoxy-10,16-dimethyl-13-oxa-9lambda6-thia-1,8,10,16-tetraazapentacyclo[16.8.1.1^{2,6}.1^{3,26}.0^{20,25}]nonacosa-2(29),3,5,18,20,22,24,26(28)-octaene-7,9,9,17-tetroneRefChem:190229DTXCID10753511204416-97-628-cyclohexyl-22-methoxy-10,16-dimethyl-9,9-dioxo-13-oxa-9lambda6-thia-1,8,10,16-tetrazapentacyclo[16.8.1.12,6.13,26.020,25]nonacosa-2,4,6(29),18,20(25),21,23,26(28)-octaene-7,17-dioneorb315304SCHEMBL1239667
Data from PubChem (NCBI)
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