CHEBI:125048 - (1R,5S)-3-(1,3-benzodioxol-5-ylmethyl)-7-[4-(5-pyrimidinyl)phenyl]-3,6-diazabicyclo[3.1.1]heptane

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ChEBI Name (1R,5S)-3-(1,3-benzodioxol-5-ylmethyl)-7-[4-(5-pyrimidinyl)phenyl]-3,6-diazabicyclo[3.1.1]heptane
ChEBI ID CHEBI:125048
Stars This entity has been manually annotated by a third party.
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Formula C23H22N4O2
Net Charge 0
Average Mass 386.447
Monoisotopic Mass 386.17428
InChI InChI=1S/C23H22N4O2/c1-6-21-22(29-14-28-21)7-15(1)10-27-11-19-23(20(12-27)26-19)17-4-2-16(3-5-17)18-8-24-13-25-9-18/h1-9,13,19-20,23,26H,10-12,14H2/t19-,20+,23?
InChIKey COTFTVJKWALVFA-DETIRCLXSA-N
SMILES C1[C@@H]2C([C@@H](N2)CN1CC3=CC4=C(C=C3)OCO4)C5=CC=C(C=C5)C6=CN=CN=C6
ChEBI Ontology
Outgoing (1R,5S)-3-(1,3-benzodioxol-5-ylmethyl)-7-[4-(5-pyrimidinyl)phenyl]-3,6-diazabicyclo[3.1.1]heptane (CHEBI:125048) is a pyrimidines (CHEBI:39447)
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