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BL-918

CAT: 0127-BUP12611-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP12611-02Size:10 mg
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CAS Number
2101517-69-3
Purity
=98%
Smiles
Fc1ccc(NC(=O)[C@H](NC(=S)Nc2cc(cc(c2)C(F)(F)F)C(F)(F)F)c2ccccc2)c(F)c1

Chemical Information

BL-918

activator of UNC-51-like kinase 1 (ULK1)

CAS Number2101517-69-3
PubChem CID146014432
IUPAC Name(2R)-2-[[3,5-bis(trifluoromethyl)phenyl]carbamothioylamino]-N-(2,4-difluorophenyl)-2-phenylacetamide
Molecular FormulaC23H15F8N3OS
Molecular Weight533.4
XLogP6.1
Topological Polar Surface Area85.3
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count10
Rotatable Bond Count5
Heavy Atom Count36
Formal Charge0
Complexity737
SMILES
C1=CC=C(C=C1)[C@H](C(=O)NC2=C(C=C(C=C2)F)F)NC(=S)NC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F
InChI
InChI=1S/C23H15F8N3OS/c24-15-6-7-18(17(25)11-15)33-20(35)19(12-4-2-1-3-5-12)34-21(36)32-16-9-13(22(26,27)28)8-14(10-16)23(29,30)31/h1-11,19H,(H,33,35)(H2,32,34,36)/t19-/m1/s1
InChIKey
BDBWQANRZRCMMD-LJQANCHMSA-N
Chemical Structure
2D Structure
2D structure of BL-918
CAS: 2101517-69-3
CID: 146014432
Formula: C23H15F8N3OS
MW: 533.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight533.4
XLogP36.1
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count10
Rotatable Bond Count5
Exact Mass533.08080858
Monoisotopic Mass533.08080858
Topological Polar Surface Area85.3 Ų
Heavy Atom Count36
Formal Charge0
Complexity737
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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