Cbl-b-IN-13

C29H30F3N5O2CAS 2368841-85-2537.59 g/mol

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NNNONOFFFN
Alkyl halideAmideEtherLactamTertiary amine

Properties

Molecular formula
C29H30F3N5O2
Molar mass
537.59 g/mol
Exact mass
537.2352 Da
logP
4.49Crippen estimate
Polar surface area
63.5 Ų
H-bond donors / acceptors
0 / 5
Rotatable bonds
6

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
2368841-85-2
SMILES
CN1C=NN=C1CC2(COC2)C3=CC(=CC=C3)N4CC5=C(C4=O)C=C(C=C5C(F)(F)F)CN6CCC7(C6)CC7
InChIKey
JNHGVASGPZWRKJ-UHFFFAOYSA-N
InChI
InChI=1S/C29H30F3N5O2/c1-35-18-33-34-25(35)12-28(16-39-17-28)20-3-2-4-21(11-20)37-14-23-22(26(37)38)9-19(10-24(23)29(30,31)32)13-36-8-7-27(15-36)5-6-27/h2-4,9-11,18H,5-8,12-17H2,1H3
Characterization data

Calculated from the structure, in the form journals print them.

[M + H]+
[M + H]+ Calcd for C29H31F3N5O2 538.2424
[M + Na]+
[M + Na]+ Calcd for C29H30F3N5NaO2 560.2244
[M − H]−
[M − H]− Calcd for C29H29F3N5O2 536.2279
Elemental analysis
Anal. Calcd for C29H30F3N5O2: C, 64.79; H, 5.63; N, 13.03.

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Names and synonyms

1 name
  • 6-(5-Azaspiro[2.4]heptan-5-ylmethyl)-2-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]-4-(trifluoromethyl)-3H-isoindol-1-one

Work with Cbl-b-IN-13

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