(1S,2R,3S,4R,5S)-4-(6-{[(3-chlorophenyl)methyl]amino}-2-[2-(3,4-difluorophenyl)ethynyl]-9H-purin-9-yl)-2,3-dihydroxy-N-methylbicyclo[3.1.0]hexane-1-carboxamide

Compound number:
MolPort-035-941-214
CAS number: 1377273-00-1
IUPAC:
(1S,2R,3S,4R,5S)-4-(6-{[(3-chlorophenyl)methyl]amino}-2-[2-(3,4-difluorophenyl)ethynyl]-9H-purin-9-yl)-2,3-dihydroxy-N-methylbicyclo[3.1.0]hexane-1-carboxamide
IUPAC traditional:
(1S,2R,3S,4R,5S)-4-(6-{[(3-chlorophenyl)methyl]amino}-2-[2-(3,4-difluorophenyl)ethynyl]purin-9-yl)-2,3-dihydroxy-N-methylbicyclo[3.1.0]hexane-1-carboxamide
SMILES:
CNC(=O)[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCc3cccc(Cl)c3)nc(nc12)C#Cc1ccc(F)c(F)c1
InChI key:
LYLLLJJYBWLGHW-CIZVZKTGSA-N
Molecular formula:
C28H23ClF2N6O3
Molecular weight: 564.98
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Supplier Catalogue Data


Catalog: Screening compound Ships out: 5 business days Purity: >96%
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1 mg October 29, 2019 407.10 USD
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More Information

Compound Identifiers
Compound number: MolPort-035-941-214
CAS number: 1377273-00-1

Names, Synonyms and 3rd Party Identifiers
Name: ZINC000084670646
MRS 5698

InChI
InChI: 1S/C28H23ClF2N6O3/c1-32-27(40)28-11-17(28)22(23(38)24(28)39)37-13-34-21-25(33-12-15-3-2-4-16(29)9-15)35-20(36-26(21)37)8-6-14-5-7-18(30)19(31)10-14/h2-5,7,9-10,13,17,22-24,38-39H,11-12H2,1H3,(H,32,40)(H,33,35,36)/t17-,22-,23+,24+,28+/m1/s1
InChI key: LYLLLJJYBWLGHW-CIZVZKTGSA-N

Calculated Properties
Molecular formula: C28H23ClF2N6O3
Molecular weight: 564.98

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2019 MolPort, v3.23, release date 19-10-2019 17:00 (+0200). All rights reserved.
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