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Chemistry

Mol. Mass

1029.92

ALogP

1.55

Rule of 5

No

Rule of 3

No
Details
  • SMILES: O=C([O-])CN(CCN(CC(=O)[O-])Cc1cc(CCC(=O)NCCCCCC(=O)NCCCC[C@H](NC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O)ccc1[O-])Cc1cc(CCC(=O)O)ccc1[O-].[68Ga+3].[OH3+]
  • InChIKey: ZSLQZWHCPBAGKD-RDIOTIBJSA-K
    InChI=1S/C44H62N6O17.Ga.H2O/c51-34-13-8-28(22-30(34)24-49(26-40(59)60)20-21-50(27-41(61)62)25-31-23-29(9-14-35(31)52)11-16-38(55)56)10-15-37(54)46-18-4-1-2-7-36(53)45-19-5-3-6-32(42(63)64)47-44(67)48-33(43(65)66)12-17-39(57)58;;/h8-9,13-14,22-23,32-33,51-52H,1-7,10-12,15-21,24-27H2,(H,45,53)(H,46,54)(H,55,56)(H,57,58)(H,59,60)(H,61,62)(H,63,64)(H,65,66)(H2,47,48,67);;1H2/q;+3;/p-3/t32-,33-;;/m0../s1/i;1-2;
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL5095039   ChEMBL
gallium ga 68 gozetotide

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