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2166387-65-9 | BI-3802
CAS No: 2166387-65-9 Catalog No: AG01FNV7 MDL No:
Product Description
Catalog Number:
AG01FNV7
Chemical Name:
BI-3802
CAS Number:
2166387-65-9
Molecular Formula:
C24H29ClN6O3
Molecular Weight:
484.9785
IUPAC Name:
2-[6-[[5-chloro-2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]pyrimidin-4-yl]amino]-1-methyl-2-oxoquinolin-3-yl]oxy-N-methylacetamide
InChI:
InChI=1S/C24H29ClN6O3/c1-14-7-15(2)12-31(11-14)24-27-10-18(25)22(29-24)28-17-5-6-19-16(8-17)9-20(23(33)30(19)4)34-13-21(32)26-3/h5-6,8-10,14-15H,7,11-13H2,1-4H3,(H,26,32)(H,27,28,29)/t14-,15+
InChI Key:
GXTJETQFYHZHNB-GASCZTMLSA-N
SMILES:
CNC(=O)COc1cc2cc(ccc2n(c1=O)C)Nc1nc(ncc1Cl)N1C[C@H](C)C[C@@H](C1)C
Properties
Complexity:
772
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
484.199g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
484.985g/mol
Monoisotopic Mass:
484.199g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
99.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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