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SGC-iMLLT 10mg

CAT: 0628-A19237-10Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0628-A19237-10Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2255338-25-9

Chemical Information

SGC-iMLLT
CAS Number2255338-25-9
PubChem CID134820948
IUPAC Name1-methyl-N-[2-[[(2S)-2-methylpyrrolidin-1-yl]methyl]-3H-benzimidazol-5-yl]indazole-5-carboxamide
Molecular FormulaC22H24N6O
Molecular Weight388.5
XLogP2.8
Topological Polar Surface Area78.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count29
Formal Charge0
Complexity602
SMILES
C[C@H]1CCCN1CC2=NC3=C(N2)C=C(C=C3)NC(=O)C4=CC5=C(C=C4)N(N=C5)C
InChI
InChI=1S/C22H24N6O/c1-14-4-3-9-28(14)13-21-25-18-7-6-17(11-19(18)26-21)24-22(29)15-5-8-20-16(10-15)12-23-27(20)2/h5-8,10-12,14H,3-4,9,13H2,1-2H3,(H,24,29)(H,25,26)/t14-/m0/s1
InChIKey
QGNDVASWIHEXCL-AWEZNQCLSA-N
Chemical Structure
2D Structure
2D structure of SGC-iMLLT
CAS: 2255338-25-9
CID: 134820948
Formula: C22H24N6O
MW: 388.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight388.5
XLogP32.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass388.20115941
Monoisotopic Mass388.20115941
Topological Polar Surface Area78.8 Ų
Heavy Atom Count29
Formal Charge0
Complexity602
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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