G2X

6-[2,6-bis(fluoranyl)-4-[3-(methylamino)propoxy]phenyl]-5-chloranyl-N-[(2S)-1,1,1-tris(fluoranyl)propan-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

Created: 2020-07-21
Last modified:  2021-07-07

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Chemical Details

Formal Charge0
Atom Count49
Chiral Atom Count1
Bond Count51
Aromatic Bond Count16
2D diagram of G2X
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Chemical Component Summary

Name6-[2,6-bis(fluoranyl)-4-[3-(methylamino)propoxy]phenyl]-5-chloranyl-N-[(2S)-1,1,1-tris(fluoranyl)propan-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
Systematic Name (OpenEye OEToolkits)6-[2,6-bis(fluoranyl)-4-[3-(methylamino)propoxy]phenyl]-5-chloranyl-~{N}-[(2~{S})-1,1,1-tris(fluoranyl)propan-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
FormulaC18 H18 Cl F5 N6 O
Molecular Weight464.82
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESCACTVS3.385CNCCCOc1cc(F)c(c(F)c1)c2c(Cl)nc3ncnn3c2N[CH](C)C(F)(F)F
SMILESOpenEye OEToolkits2.0.7CC(C(F)(F)F)Nc1c(c(nc2n1ncn2)Cl)c3c(cc(cc3F)OCCCNC)F
Canonical SMILESCACTVS3.385 CNCCCOc1cc(F)c(c(F)c1)c2c(Cl)nc3ncnn3c2N[C@@H](C)C(F)(F)F
Canonical SMILESOpenEye OEToolkits2.0.7 C[C@@H](C(F)(F)F)Nc1c(c(nc2n1ncn2)Cl)c3c(cc(cc3F)OCCCNC)F
InChIInChI1.03 InChI=1S/C18H18ClF5N6O/c1-9(18(22,23)24)28-16-14(15(19)29-17-26-8-27-30(16)17)13-11(20)6-10(7-12(13)21)31-5-3-4-25-2/h6-9,25,28H,3-5H2,1-2H3/t9-/m0/s1
InChIKeyInChI1.03 ZUZPCOQWSYNWLU-VIFPVBQESA-N

Drug Info: DrugBank

DrugBank IDDB12533 
NameCevipabulin
Groups investigational
DescriptionCevipabulin has been used in trials studying the treatment and educational/counseling/training of Tumors and Neoplasms.
SynonymsCevipabulin
CAS number849550-05-6

Related Resource References

Resource NameReference
PubChem 11488110
ChEMBL CHEMBL1182714