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2097132-94-8 | Blu667
CAS No: 2097132-94-8 Catalog No: AG01FN8Y MDL No:
Product Description
Catalog Number:
AG01FN8Y
Chemical Name:
Blu667
CAS Number:
2097132-94-8
Molecular Formula:
C27H32FN9O2
Molecular Weight:
533.6005
IUPAC Name:
N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)pyridin-3-yl]ethyl]-1-methoxy-4-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]cyclohexane-1-carboxamide
InChI:
InChI=1S/C27H32FN9O2/c1-16-11-22(33-23-12-17(2)35-36-23)34-25(31-16)19-7-9-27(39-4,10-8-19)26(38)32-18(3)20-5-6-24(29-13-20)37-15-21(28)14-30-37/h5-6,11-15,18-19H,7-10H2,1-4H3,(H,32,38)(H2,31,33,34,35,36)/t18-,19?,27?/m0/s1
InChI Key:
GBLBJPZSROAGMF-SIYOEGHHSA-N
SMILES:
CO[C@@]1(CC[C@H](CC1)c1nc(C)cc(n1)Nc1n[nH]c(c1)C)C(=O)N[C@H](c1ccc(nc1)n1ncc(c1)F)C
UNII:
1WPE73O1WV
Properties
Complexity:
816
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
533.266g/mol
Formal Charge:
0
Heavy Atom Count:
39
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
533.612g/mol
Monoisotopic Mass:
533.266g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
136A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
Literature
| Title | Journal |
|---|---|
| Precision Targeted Therapy with BLU-667 for RET-Driven Cancers. | Cancer discovery 20180701 |
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