3-({[(3S,3aR,6S,6aR)-6-{[4-(3-fluorophenyl)pyrimidin-2-yl]amino}-hexahydrofuro[3,2-b]furan-3-yl]amino}methyl)benzonitrile
AlkaPlorer ID: AK546723
Synonym: None
IUPAC Name: 3-[[[(3S,3aR,6S,6aR)-6-[[4-(3-fluorophenyl)pyrimidin-2-yl]amino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]amino]methyl]benzonitrile
Structure
SMILES: N#CC1=CC(CN[C@H]2CO[C@H]3[C@@H]2OC[C@@H]3NC2=NC(C3=CC(F)=CC=C3)=CC=N2)=CC=C1
InChI: InChI=1S/C24H22FN5O2/c25-18-6-2-5-17(10-18)19-7-8-27-24(29-19)30-21-14-32-22-20(13-31-23(21)22)28-12-16-4-1-3-15(9-16)11-26/h1-10,20-23,28H,12-14H2,(H,27,29,30)/t20-,21-,22+,23+/m0/s1
InChIKey: VGONYJADSPSZCX-MYDTUXCISA-N
Reference
Distinct metabolic responses of an ovarian cancer stem cell line
PubChem CID: 11941311
SuperNatural Ⅲ: SN0389709-02
Source
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Properties Information
Molecule Weight: 431.4710000000001
TPSA？: 92.09
MolLogP？: 2.890880000000001
Number of H-Donors: 2
Number of H-Acceptors: 7
RingCount: 5
Activities Information
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