4VJ

2-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-8-(2-{[(1S,3R)-3-hydroxycyclopentyl]amino}pyrimidin-4-yl)-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepin-1-one


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Chemical Component Summary

Name2-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-8-(2-{[(1S,3R)-3-hydroxycyclopentyl]amino}pyrimidin-4-yl)-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepin-1-one
Identifiers2-[(1S)-1-(3-chlorophenyl)-2-oxidanyl-ethyl]-8-[2-[[(1S,3R)-3-oxidanylcyclopentyl]amino]pyrimidin-4-yl]-4,5-dihydro-3H-pyrrolo[1,2-a][1,4]diazepin-1-one
FormulaC25 H28 Cl N5 O3
Molecular Weight481.975
TypeNON-POLYMER
Isomeric SMILESc1cc(cc(c1)Cl)[C@@H](CO)N2CCCn3cc(cc3C2=O)c4ccnc(n4)N[C@H]5CC[C@H](C5)O
InChIInChI=1S/C25H28ClN5O3/c26-18-4-1-3-16(11-18)23(15-32)31-10-2-9-30-14-17(12-22(30)24(31)34)21-7-8-27-25(29-21)28-19-5-6-20(33)13-19/h1,3-4,7-8,11-12,14,19-20,23,32-33H,2,5-6,9-10,13,15H2,(H,27,28,29)/t19-,20+,23+/m0/s1
InChIKeyZQJZOIMPHMQLOK-MIZPHKNDSA-N

Chemical Details

Formal Charge0
Atom Count62
Chiral Atom Count3
Bond Count66
Aromatic Bond Count17

Related Resource References

Resource NameReference
Pharos CHEMBL3608461
PubChem 91864562
ChEMBL CHEMBL3608461