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Ieramilimab

CAT: 0127-BUP20422-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP20422-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2035069-96-4
Synonyms
IM701 , IMP701 , LA525 , LAG525 , NVPLAG525 , NVP-LAG525
Purity
=95%
Smiles
C(F)(F)[C@H]1N2C=3C(N=C2CC1)=C(F)C=C(C3)C4=NC(NC5=CC=C(CN6CCN(CC)CC6)C=N5)=NC=C4F

Chemical Information

Cdk4/6-IN-17
CAS Number2035069-96-4
PubChem CID122657619
IUPAC Name4-[(1S)-1-(difluoromethyl)-5-fluoro-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-7-yl]-N-[5-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]-5-fluoropyrimidin-2-amine
Molecular FormulaC27H28F4N8
Molecular Weight540.6
XLogP4
Topological Polar Surface Area75
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count11
Rotatable Bond Count7
Heavy Atom Count39
Formal Charge0
Complexity804
SMILES
CCN1CCN(CC1)CC2=CN=C(C=C2)NC3=NC=C(C(=N3)C4=CC5=C(C(=C4)F)N=C6N5[C@@H](CC6)C(F)F)F
InChI
InChI=1S/C27H28F4N8/c1-2-37-7-9-38(10-8-37)15-16-3-5-22(32-13-16)34-27-33-14-19(29)24(36-27)17-11-18(28)25-21(12-17)39-20(26(30)31)4-6-23(39)35-25/h3,5,11-14,20,26H,2,4,6-10,15H2,1H3,(H,32,33,34,36)/t20-/m0/s1
InChIKey
LOWCJOWTSOHEME-FQEVSTJZSA-N
Chemical Structure
2D Structure
2D structure of Cdk4/6-IN-17
CAS: 2035069-96-4
CID: 122657619
Formula: C27H28F4N8
MW: 540.6
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight540.6
XLogP34
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count11
Rotatable Bond Count7
Exact Mass540.23730558
Monoisotopic Mass540.23730558
Topological Polar Surface Area75 Ų
Heavy Atom Count39
Formal Charge0
Complexity804
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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