4QD

8-(3-{[(2S)-1-aminopropan-2-yl]oxy}benzyl)-4-(cyclohexylamino)-1-(3-fluorophenyl)-1,3,8-triazaspiro[4.5]dec-3-en-2-one


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Chemical Component Summary

Name8-(3-{[(2S)-1-aminopropan-2-yl]oxy}benzyl)-4-(cyclohexylamino)-1-(3-fluorophenyl)-1,3,8-triazaspiro[4.5]dec-3-en-2-one
Identifiers8-[[3-[(2S)-1-azanylpropan-2-yl]oxyphenyl]methyl]-4-(cyclohexylamino)-1-(3-fluorophenyl)-1,3,8-triazaspiro[4.5]dec-3-en-2-one
FormulaC29 H38 F N5 O2
Molecular Weight507.643
TypeNON-POLYMER
Isomeric SMILESC[C@@H](CN)Oc1cccc(c1)CN2CCC3(CC2)C(=NC(=O)N3c4cccc(c4)F)NC5CCCCC5
InChIInChI=1S/C29H38FN5O2/c1-21(19-31)37-26-12-5-7-22(17-26)20-34-15-13-29(14-16-34)27(32-24-9-3-2-4-10-24)33-28(36)35(29)25-11-6-8-23(30)18-25/h5-8,11-12,17-18,21,24H,2-4,9-10,13-16,19-20,31H2,1H3,(H,32,33,36)/t21-/m0/s1
InChIKeyGJCCGBZILLQLCV-NRFANRHFSA-N

Chemical Details

Formal Charge0
Atom Count75
Chiral Atom Count1
Bond Count79
Aromatic Bond Count12

Related Resource References

Resource NameReference
PubChem 136375305, 66738014