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BILR-355

CAT: 0931-T26816-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T26816-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
380378-81-4
Target
HIV Protease, Reverse Transcriptase, Others
Related Pathways
Microbiology/Virology, Proteases/Proteasome, Others
Bioactivity
BILR-355 is a reverse transcriptase inhibitor.
Smiles
C(C)N1C=2C(=CC(CCOC=3C4=C(N(=O)=CC3)C=CC=C4)=CN2)C(=O)N(C)C=5C1=NC=CC5
Molecular Formula
C25H23N5O3
Molecular Weight
441.48
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Bilr 355
CAS Number380378-81-4
PubChem CID3010663
IUPAC Name2-ethyl-9-methyl-13-[2-(1-oxidoquinolin-1-ium-4-yl)oxyethyl]-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-10-one
Molecular FormulaC25H23N5O3
Molecular Weight441.5
XLogP2.8
Topological Polar Surface Area84
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Heavy Atom Count33
Formal Charge0
Complexity680
SMILES
CCN1C2=C(C=CC=N2)N(C(=O)C3=C1N=CC(=C3)CCOC4=CC=[N+](C5=CC=CC=C54)[O-])C
InChI
InChI=1S/C25H23N5O3/c1-3-29-23-19(25(31)28(2)21-9-6-12-26-24(21)29)15-17(16-27-23)11-14-33-22-10-13-30(32)20-8-5-4-7-18(20)22/h4-10,12-13,15-16H,3,11,14H2,1-2H3
InChIKey
BEMBRAMZGVDPMH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Bilr 355
CAS: 380378-81-4
CID: 3010663
Formula: C25H23N5O3
MW: 441.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight441.5
XLogP32.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Exact Mass441.18008961
Monoisotopic Mass441.18008961
Topological Polar Surface Area84 Ų
Heavy Atom Count33
Formal Charge0
Complexity680
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

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HY-118632BILR 355
MBS5776543BILR-355
B5534-10TMN 355
E1991-1gBBI-355
HY-P11148Hym-355
HY-W953425CRBN ligand-355
MBS5822547UR-MB-355
RM-E132955-01Empagliflozin Impurity 355

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