4CE

(2E)-N-[(1S)-1-[5-chloro-4-(4-hydroxy-2-oxo-1,2-dihydroquinolin-6-yl)-1H-imidazol-2-yl]-3-(4-methylpiperazin-1-yl)-3-oxopropyl]-3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]prop-2-enamide


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Chemical Component Summary

Name(2E)-N-[(1S)-1-[5-chloro-4-(4-hydroxy-2-oxo-1,2-dihydroquinolin-6-yl)-1H-imidazol-2-yl]-3-(4-methylpiperazin-1-yl)-3-oxopropyl]-3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]prop-2-enamide
Identifiers(E)-N-[(1S)-1-[5-chloranyl-4-(4-oxidanyl-2-oxidanylidene-1H-quinolin-6-yl)-1H-imidazol-2-yl]-3-(4-methylpiperazin-1-yl)-3-oxidanylidene-propyl]-3-[5-chloranyl-2-(1,2,3,4-tetrazol-1-yl)phenyl]prop-2-enamide
FormulaC30 H28 Cl2 N10 O4
Molecular Weight663.514
TypeNON-POLYMER
Isomeric SMILESCN1CCN(CC1)C(=O)C[C@@H](c2[nH]c(c(n2)c3ccc4c(c3)C(=CC(=O)N4)O)Cl)NC(=O)/C=C/c5cc(ccc5n6cnnn6)Cl
InChIInChI=1S/C30H28Cl2N10O4/c1-40-8-10-41(11-9-40)27(46)14-22(35-25(44)7-3-17-12-19(31)4-6-23(17)42-16-33-38-39-42)30-36-28(29(32)37-30)18-2-5-21-20(13-18)24(43)15-26(45)34-21/h2-7,12-13,15-16,22H,8-11,14H2,1H3,(H,35,44)(H,36,37)(H2,34,43,45)/b7-3+/t22-/m0/s1
InChIKeyNBMJTOOHXJGJNZ-RJOTYRNVSA-N

Chemical Details

Formal Charge0
Atom Count74
Chiral Atom Count1
Bond Count79
Aromatic Bond Count22

Related Resource References

Resource NameReference
Pharos CHEMBL3580759
PubChem 77108442
ChEMBL CHEMBL3580759