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Seralutinib 5mg

CAT: 0628-A22515-5Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0628-A22515-5Size:5 mg
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CAS Number
1619931-27-9

Chemical Information

Seralutinib
CAS Number1619931-27-9
PubChem CID91663352
IUPAC NameN-[3-[(1S)-1-[[6-(3,4-dimethoxyphenyl)pyrazin-2-yl]amino]ethyl]phenyl]-5-methylpyridine-3-carboxamide
Molecular FormulaC27H27N5O3
Molecular Weight469.5
XLogP3.7
Topological Polar Surface Area98.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count8
Heavy Atom Count35
Formal Charge0
Complexity667
SMILES
CC1=CC(=CN=C1)C(=O)NC2=CC=CC(=C2)[C@H](C)NC3=NC(=CN=C3)C4=CC(=C(C=C4)OC)OC
InChI
InChI=1S/C27H27N5O3/c1-17-10-21(14-28-13-17)27(33)31-22-7-5-6-19(11-22)18(2)30-26-16-29-15-23(32-26)20-8-9-24(34-3)25(12-20)35-4/h5-16,18H,1-4H3,(H,30,32)(H,31,33)/t18-/m0/s1
InChIKey
JHJNPOSPVGRIAN-SFHVURJKSA-N
Chemical Structure
2D Structure
2D structure of Seralutinib
CAS: 1619931-27-9
CID: 91663352
Formula: C27H27N5O3
MW: 469.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight469.5
XLogP33.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count8
Exact Mass469.21138974
Monoisotopic Mass469.21138974
Topological Polar Surface Area98.3 Ų
Heavy Atom Count35
Formal Charge0
Complexity667
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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