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1271738-62-5 | Thieno[2,3-d]pyrimidine, 4-[4-(4,5-dihydro-5,5-dimethyl-2-thiazolyl)-1-piperazinyl]-6-propyl-
CAS No: 1271738-62-5 Catalog No: AG000WQL MDL No:MFCD22575021
Product Description
Catalog Number:
AG000WQL
Chemical Name:
Thieno[2,3-d]pyrimidine, 4-[4-(4,5-dihydro-5,5-dimethyl-2-thiazolyl)-1-piperazinyl]-6-propyl-
CAS Number:
1271738-62-5
Molecular Formula:
C18H25N5S2
Molecular Weight:
375.5546
MDL Number:
MFCD22575021
IUPAC Name:
4-[4-(5,5-dimethyl-4H-1,3-thiazol-2-yl)piperazin-1-yl]-6-propylthieno[2,3-d]pyrimidine
InChI:
InChI=1S/C18H25N5S2/c1-4-5-13-10-14-15(20-12-21-16(14)24-13)22-6-8-23(9-7-22)17-19-11-18(2,3)25-17/h10,12H,4-9,11H2,1-3H3
InChI Key:
SRQYLNYQAPCPIR-UHFFFAOYSA-N
SMILES:
CCCc1sc2c(c1)c(ncn2)N1CCN(CC1)C1=NCC(S1)(C)C
Properties
Complexity:
504
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
375.155g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
375.553g/mol
Monoisotopic Mass:
375.155g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
98.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
Literature
| Title | Journal |
|---|---|
| Menin-MLL inhibitors reverse oncogenic activity of MLL fusion proteins in leukemia. | Nature chemical biology 20120129 |
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