YK5DTP8NHU
4-methylbenzenesulfonic acid;19-methyl-3-(2-methylpropyl)-7-(pyrimidin-2-ylamino)-3,13,19,20-tetrazahexacyclo[14.7.0.02,10.04,9.011,15.017,21]tricosa-1(16),2(10),4(9),5,7,11(15),17,20-octaen-14-one
Molecular Identity
YK5DTP8NHU
4-methylbenzenesulfonic acid;19-methyl-3-(2-methylpropyl)-7-(pyrimidin-2-ylamino)-3,13,19,20-tetrazahexacyclo[14.7.0.02,10.04,9.011,15.017,21]tricosa-1(16),2(10),4(9),5,7,11(15),17,20-octaen-14-one
PubChem CID: 46196540
2D Structure
Properties
C35H35N7O4S
Molecular Formula
649.80
Molecular Weight
g/mol
649.2471
Exact Mass
Da
152
TPSA
May have limited oral absorption
3
H-Bond Donors
8
H-Bond Acceptors
1040
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(15)
YK5DTP8NHUCEP-11981 tosylateUNII-YK5DTP8NHU901128-79-8ESK981RefChem:200108BOL 303213X tosylateBOL-303213X tosylateCEP-11981 (tosylate)4H-Indazolo(5,4-a)pyrrolo(3,4-C)carbazol-4-one, 2,5,6,11,12,13-hexahydro-2-methyl-11-(2-methylpropyl)-8-(2-pyrimidinylamino)-, 4-methylbenzenesulfonate (1:1)orb2566644EX-A7844AHY-16135ACS-09050982,5,6,11,12,13-Hexahydro-2-methyl-11-(2-methylpropyl)-8-(2-pyrimidinylamino)-4H-indazolo[5,4-c]pyrrolo[3,4-c]carbazol-4-one mono(4-methylbenzenesulfonate)
Data from PubChem (NCBI)
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