5,10,15,20-TETRA[4-(4'-GALACTOSYLPIPERAZINYL)PHENYL]PORPHYRIN

/static/temp/default.svg Search structure
Molecule Category Free-form
Source Gaulton A, Kale N, van Westen GJ, Bellis LJ, Bento AP, Davies M, Hersey A, Papadatos G, Forster M, Wege P, Overington JP. A large-scale crop protection bioassay data set. Sci Data. 2015 Jul 7;2:150032. Read more ...

Structure

InChI Key PDTWGBFBXBIIHA-HGWBJWPRSA-N
Smiles OC[C@@H](O)[C@@H](O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@H](O)[C@@H](O)C(=O)N2CCN(CC2)c3ccc(cc3)c4c5C=Cc(n5)c(c6ccc(cc6)N7CCN(CC7)C(=O)[C@H](O)[C@@H](O)[C@H](O[C@@H]8O[C@H](CO)[C@H](O)[C@H](O)[C@H]8O)[C@H](O)CO)c9ccc([nH]9)c(c%10ccc(cc%10)N%11CCN(CC%11)C(=O)[C@H](O)[C@@H](O)[C@H](O[C@@H]%12O[C@H](CO)[C@H](O)[C@H](O)[C@H]%12O)[C@H](O)CO)c%13ccc(n%13)c(c%14C=Cc4[nH]%14)c%15ccc(cc%15)N%16CCN(CC%16)C(=O)[C@H](O)[C@@H](O)[C@H](O[C@@H]%17O[C@H](CO)[C@H](O)[C@H](O)[C@H]%17O)[C@H](O)CO
InChI
InChI=1S/C108H142N12O44/c121-41-65(129)97(161-105-93(149)81(137)77(133)69(45-125)157-105)85(141)89(145)101(153)117-33-25-113(26-34-117)53-9-1-49(2-10-53)73-57-17-19-59(109-57)74(50-3-11-54(12-4-50)114-27-35-118(36-28-114)102(154)90(146)86(142)98(66(130)42-122)162-106-94(150)82(138)78(134)70(46-126)158-106)61-21-23-63(111-61)76(52-7-15-56(16-8-52)116-31-39-120(40-32-116)104(156)92(148)88(144)100(68(132)44-124)164-108-96(152)84(140)80(136)72(48-128)160-108)64-24-22-62(112-64)75(60-20-18-58(73)110-60)51-5-13-55(14-6-51)115-29-37-119(38-30-115)103(155)91(147)87(143)99(67(131)43-123)163-107-95(151)83(139)79(135)71(47-127)159-107/h1-24,65-72,77-100,105-109,112,121-152H,25-48H2/b73-57-,73-58-,74-59-,74-61-,75-60-,75-62-,76-63-,76-64-/t65-,66-,67-,68-,69-,70-,71-,72-,77+,78+,79+,80+,81+,82+,83+,84+,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,105+,106+,107+,108+/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C108H142N12O44
Molecular Weight 2312.34

Cross References

Resources Reference
ChEMBL CHEMBL220586
CONTENTS