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1687736-54-4 | Urea, N-6-isoquinolinyl-N'-[2-oxo-2-(1-pyrrolidinyl)ethyl]-
CAS No: 1687736-54-4 Catalog No: AG001Y9W MDL No:MFCD28411624
Product Description
Catalog Number:
AG001Y9W
Chemical Name:
Urea, N-6-isoquinolinyl-N'-[2-oxo-2-(1-pyrrolidinyl)ethyl]-
CAS Number:
1687736-54-4
Molecular Formula:
C16H18N4O2
Molecular Weight:
298.3397
MDL Number:
MFCD28411624
IUPAC Name:
1-isoquinolin-6-yl-3-(2-oxo-2-pyrrolidin-1-ylethyl)urea
InChI:
InChI=1S/C16H18N4O2/c21-15(20-7-1-2-8-20)11-18-16(22)19-14-4-3-13-10-17-6-5-12(13)9-14/h3-6,9-10H,1-2,7-8,11H2,(H2,18,19,22)
InChI Key:
DMIDPTCQPIJYFE-UHFFFAOYSA-N
SMILES:
O=C(Nc1ccc2c(c1)ccnc2)NCC(=O)N1CCCC1
Properties
Complexity:
409
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
298.143g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
298.346g/mol
Monoisotopic Mass:
298.143g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
74.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
Literature
| Title | Journal |
|---|---|
| A potent, selective and cell-active allosteric inhibitor of protein arginine methyltransferase 3 (PRMT3). | Angewandte Chemie (International ed. in English) 20150420 |
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