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methyl pyropheophorbide-a analogue
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NAMES
  • methyl pyropheophorbide-a analogue
SMILES
C=Cc1c(C)c2n3c1=CC1=[N+]4C(=Cc5c(C)c6c7n5[In-2]34(Cl)[N+]3=C(C=2)[C@@H](C)[C@H](CCC(=O)N(CC(=O)O)CC(=O)O)C3=C7CC6=O)C(CC)=C1C
InChI
InChI=1S/C37H39N5O6.ClH.In/c1-7-21-17(3)25-12-27-19(5)23(9-10-32(44)42(15-33(45)46)16-34(47)48)36(40-27)24-11-31(43)35-20(6)28(41-37(24)35)14-30-22(8-2)18(4)26(39-30)13-29(21)38-25;;/h7,12-14,19,23H,1,8-11,15-16H2,2-6H3,(H4,38,39,40,41,43,45,46,47,48);1H;/q;;+3/p-3/t19-,23-;;/m0../s1
MOLECULAR FORMULA
C37H37ClInN5O6
CROSS REFERENCES
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methyl pyropheophorbide-a analogue

Compound Synopsis

OVERVIEW
PROPERTIES
Molecular weight 797.15
AlogP 3.02
HBond donors 2
HBond acceptors 11
Atoms 87
Contains toxicophore No
Contains PAINS No
Commercially available Unknown
Property color indications are based on Lipinski's Ro5.
PROTEIN TARGETS
No information about proteins targeted by methyl pyropheophorbide-a analogue.