azanide;carbanide;2-[4-[2-[3-[2-[(E)-2-[(3E)-2-chloro-3-[(2E)-2-[1-[6-[[1-[3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-methylidenepyrimidin-4-yl]amino]-6-oxohexyl]-3,3-dimethylindol-2-ylidene]ethylidene]cyclohexen-1-yl]ethenyl]-3,3-dimethylindol-1-ium-1-yl]propylamino]-2-oxoethyl]-7,10-bis(formyloxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid;6-[(2E)-2-[(2E)-2-[2-chloro-3-[(E)-2-[1-[6-[2-[(2R,4S,5S)-3-(18F)fluoro-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]hydrazinyl]-6-oxohexyl]-3,3-dimethylindol-1-ium-2-yl]ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-3,3-dimethylindol-1-yl]-N-[1-[3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-methylidenepyrimidin-4-yl]hexanamide;6-[2-[2-[2-chloro-3-[2-[1-[6-[2-[(2R,4S,5S)-3-(18F)fluoro-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]hydrazinyl]-6-oxohexyl]-3,3-dimethylindol-2-ylidene]ethylidene]cyclohexen-1-yl]ethenyl]-3,3-dimethylindol-1-ium-1-yl]hexanoic acid;dichloroplatinum(2+);gadolinium(3+);hydrate

C172H230Cl5F6GdN22O28Pt+6 — CID 159249119

About azanide;carbanide;2-[4-[2-[3-[2-[(E)-2-[(3E)-2-chloro-3-[(2E)-2-[1-[6-[[1-[3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-methylidenepyrimidin-4-yl]amino]-6-oxohexyl]-3,3-dimethylindol-2-ylidene]ethylidene]cyclohexen-1-yl]ethenyl]-3,3-dimethylindol-1-ium-1-yl]propylamino]-2-oxoethyl]-7,10-bis(formyloxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid;6-[(2E)-2-[(2E)-2-[2-chloro-3-[(E)-2-[1-[6-[2-[(2R,4S,5S)-3-(18F)fluoro-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]hydrazinyl]-6-oxohexyl]-3,3-dimethylindol-1-ium-2-yl]ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-3,3-dimethylindol-1-yl]-N-[1-[3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-methylidenepyrimidin-4-yl]hexanamide;6-[2-[2-[2-chloro-3-[2-[1-[6-[2-[(2R,4S,5S)-3-(18F)fluoro-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]hydrazinyl]-6-oxohexyl]-3,3-dimethylindol-2-ylidene]ethylidene]cyclohexen-1-yl]ethenyl]-3,3-dimethylindol-1-ium-1-yl]hexanoic acid;dichloroplatinum(2+);gadolinium(3+);hydrate

azanide;carbanide;2-[4-[2-[3-[2-[(E)-2-[(3E)-2-chloro-3-[(2E)-2-[1-[6-[[1-[3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-methylidenepyrimidin-4-yl]amino]-6-oxohexyl]-3,3-dimethylindol-2-ylidene]ethylidene]cyclohexen-1-yl]ethenyl]-3,3-dimethylindol-1-ium-1-yl]propylamino]-2-oxoethyl]-7,10-bis(formyloxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid;6-[(2E)-2-[(2E)-2-[2-chloro-3-[(E)-2-[1-[6-[2-[(2R,4S,5S)-3-(18F)fluoro-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]hydrazinyl]-6-oxohexyl]-3,3-dimethylindol-1-ium-2-yl]ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-3,3-dimethylindol-1-yl]-N-[1-[3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-methylidenepyrimidin-4-yl]hexanamide;6-[2-[2-[2-chloro-3-[2-[1-[6-[2-[(2R,4S,5S)-3-(18F)fluoro-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]hydrazinyl]-6-oxohexyl]-3,3-dimethylindol-2-ylidene]ethylidene]cyclohexen-1-yl]ethenyl]-3,3-dimethylindol-1-ium-1-yl]hexanoic acid;dichloroplatinum(2+);gadolinium(3+);hydrate (PubChem CID 159249119) has the molecular formula C172H230Cl5F6GdN22O28Pt+6 and a molecular weight of 3695.44 g/mol. Its IUPAC name is azanide;carbanide;2-[4-[2-[3-[2-[(E)-2-[(3E)-2-chloro-3-[(2E)-2-[1-[6-[[1-[3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-methylidenepyrimidin-4-yl]amino]-6-oxohexyl]-3,3-dimethylindol-2-ylidene]ethylidene]cyclohexen-1-yl]ethenyl]-3,3-dimethylindol-1-ium-1-yl]propylamino]-2-oxoethyl]-7,10-bis(formyloxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid;6-[(2E)-2-[(2E)-2-[2-chloro-3-[(E)-2-[1-[6-[2-[(2R,4S,5S)-3-(18F)fluoro-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]hydrazinyl]-6-oxohexyl]-3,3-dimethylindol-1-ium-2-yl]ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-3,3-dimethylindol-1-yl]-N-[1-[3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-methylidenepyrimidin-4-yl]hexanamide;6-[2-[2-[2-chloro-3-[2-[1-[6-[2-[(2R,4S,5S)-3-(18F)fluoro-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]hydrazinyl]-6-oxohexyl]-3,3-dimethylindol-2-ylidene]ethylidene]cyclohexen-1-yl]ethenyl]-3,3-dimethylindol-1-ium-1-yl]hexanoic acid;dichloroplatinum(2+);gadolinium(3+);hydrate.

Molecular Properties

• Compound Name: azanide;carbanide;2-[4-[2-[3-[2-[(E)-2-[(3E)-2-chloro-3-[(2E)-2-[1-[6-[[1-[3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-methylidenepyrimidin-4-yl]amino]-6-oxohexyl]-3,3-dimethylindol-2-ylidene]ethylidene]cyclohexen-1-yl]ethenyl]-3,3-dimethylindol-1-ium-1-yl]propylamino]-2-oxoethyl]-7,10-bis(formyloxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid;6-[(2E)-2-[(2E)-2-[2-chloro-3-[(E)-2-[1-[6-[2-[(2R,4S,5S)-3-(18F)fluoro-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]hydrazinyl]-6-oxohexyl]-3,3-dimethylindol-1-ium-2-yl]ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-3,3-dimethylindol-1-yl]-N-[1-[3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-methylidenepyrimidin-4-yl]hexanamide;6-[2-[2-[2-chloro-3-[2-[1-[6-[2-[(2R,4S,5S)-3-(18F)fluoro-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]hydrazinyl]-6-oxohexyl]-3,3-dimethylindol-2-ylidene]ethylidene]cyclohexen-1-yl]ethenyl]-3,3-dimethylindol-1-ium-1-yl]hexanoic acid;dichloroplatinum(2+);gadolinium(3+);hydrate
• PubChem CID: 159249119
• Molecular Formula: C172H230Cl5F6GdN22O28Pt+6
• Molecular Weight: 3695.44 g/mol
• Exact Mass: 3691.45
• IUPAC Name: azanide;carbanide;2-[4-[2-[3-[2-[(E)-2-[(3E)-2-chloro-3-[(2E)-2-[1-[6-[[1-[3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-methylidenepyrimidin-4-yl]amino]-6-oxohexyl]-3,3-dimethylindol-2-ylidene]ethylidene]cyclohexen-1-yl]ethenyl]-3,3-dimethylindol-1-ium-1-yl]propylamino]-2-oxoethyl]-7,10-bis(formyloxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid;6-[(2E)-2-[(2E)-2-[2-chloro-3-[(E)-2-[1-[6-[2-[(2R,4S,5S)-3-(18F)fluoro-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]hydrazinyl]-6-oxohexyl]-3,3-dimethylindol-1-ium-2-yl]ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-3,3-dimethylindol-1-yl]-N-[1-[3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-methylidenepyrimidin-4-yl]hexanamide;6-[2-[2-[2-chloro-3-[2-[1-[6-[2-[(2R,4S,5S)-3-(18F)fluoro-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]hydrazinyl]-6-oxohexyl]-3,3-dimethylindol-2-ylidene]ethylidene]cyclohexen-1-yl]ethenyl]-3,3-dimethylindol-1-ium-1-yl]hexanoic acid;dichloroplatinum(2+);gadolinium(3+);hydrate
• SMILES: C=C1N=C(NC(=O)CCCCCN2/C(=C/C=C3\CCCC(/C=C/C4=[N+](CCCCCC(=O)NN[C@@H]5OC(CO)[C@@H](O)[C@H](O)C5[18F])c5ccccc5C4(C)C)=C3Cl)C(C)(C)c3ccccc32)C=CN1C1OC(CO)C(O)C1(F)F.C=C1N=C(NC(=O)CCCCCN2/C(=C/C=C3\CCCC(/C=C/C4=[N+](CCCNC(=O)CN5CCN(COC=O)CCN(COC=O)CCN(CC(=O)O)CC5)c5ccccc5C4(C)C)=C3Cl)C(C)(C)c3ccccc32)C=CN1C1OC(CO)C(O)C1(F)F.CC1(C)C(=CC=C2CCCC(C=CC3=[N+](CCCCCC(=O)O)c4ccccc4C3(C)C)=C2Cl)N(CCCCCC(=O)NN[C@@H]2OC(CO)[C@@H](O)[C@H](O)C2[18F])c2ccccc21.Cl[Pt+2]Cl.O.[CH3-].[Gd+3].[NH2-]
• InChI: InChI=1S/C65H85ClF2N10O11.C58H73ClF3N7O9.C48H62ClFN4O7.CH3.2ClH.Gd.H2N.H2O.Pt/c1-46-70-56(26-30-76(46)62-65(67,68)61(86)53(41-79)89-62)71-57(82)21-7-6-12-28-77-51-19-10-8-17-49(51)63(2,3)54(77)24-22-47-15-13-16-48(60(47)66)23-25-55-64(4,5)50-18-9-11-20-52(50)78(55)29-14-27-69-58(83)39-72-31-32-73(40-59(84)85)34-36-75(43-88-45-81)38-37-74(35-33-72)42-87-44-80;1-35-63-46(29-32-67(35)55-58(61,62)53(76)43(34-71)78-55)64-47(72)23-8-6-14-30-68-40-21-12-10-19-38(40)56(2,3)44(68)27-25-36-17-16-18-37(49(36)59)26-28-45-57(4,5)39-20-11-13-22-41(39)69(45)31-15-7-9-24-48(73)65-66-54-50(60)52(75)51(74)42(33-70)77-54;1-47(2)33-18-9-11-20-35(33)53(28-13-5-7-22-40(56)51-52-46-43(50)45(60)44(59)37(30-55)61-46)38(47)26-24-31-16-15-17-32(42(31)49)25-27-39-48(3,4)34-19-10-12-21-36(34)54(39)29-14-6-8-23-41(57)58;;;;;;;/h8-11,17-20,22-26,30,44-45,53,61-62,79,86H,1,6-7,12-16,21,27-29,31-43H2,2-5H3,(H2-,69,70,71,82,83,84,85);10-13,19-22,25-29,32,42-43,50-55,66,70-71,74-76H,1,6-9,14-18,23-24,30-31,33-34H2,2-5H3,(H-,63,64,65,72,73);9-12,18-21,24-27,37,43-46,52,55,59-60H,5-8,13-17,22-23,28-30H2,1-4H3,(H-,51,56,57,58);1H3;2*1H;;2*1H2;/q;;;-1;;;+3;-1;;+4/p+1/t;42?,43?,50?,51-,52-,53?,54-,55?;37?,43?,44-,45-,46-;;;;;;;/m.11......./s1/i;60-1;50-1
• InChIKey: CBJZXGVDYFROCP-KPIGEJIXSA-O
• XLogP: 22.24
• TPSA: 663.89 Ų
• H-Bond Donors: 19
• H-Bond Acceptors: 38
• Rotatable Bonds: 63
• Heavy Atoms: 235
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3695.44
LogP ≤ 5	22.24
H-Bond Donors ≤ 5	19
H-Bond Acceptors ≤ 10	38

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of azanide;carbanide;2-[4-[2-[3-[2-[(E)-2-[(3E)-2-chloro-3-[(2E)-2-[1-[6-[[1-[3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-methylidenepyrimidin-4-yl]amino]-6-oxohexyl]-3,3-dimethylindol-2-ylidene]ethylidene]cyclohexen-1-yl]ethenyl]-3,3-dimethylindol-1-ium-1-yl]propylamino]-2-oxoethyl]-7,10-bis(formyloxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid;6-[(2E)-2-[(2E)-2-[2-chloro-3-[(E)-2-[1-[6-[2-[(2R,4S,5S)-3-(18F)fluoro-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]hydrazinyl]-6-oxohexyl]-3,3-dimethylindol-1-ium-2-yl]ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-3,3-dimethylindol-1-yl]-N-[1-[3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-methylidenepyrimidin-4-yl]hexanamide;6-[2-[2-[2-chloro-3-[2-[1-[6-[2-[(2R,4S,5S)-3-(18F)fluoro-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]hydrazinyl]-6-oxohexyl]-3,3-dimethylindol-2-ylidene]ethylidene]cyclohexen-1-yl]ethenyl]-3,3-dimethylindol-1-ium-1-yl]hexanoic acid;dichloroplatinum(2+);gadolinium(3+);hydrate?

The IUPAC name of azanide;carbanide;2-[4-[2-[3-[2-[(E)-2-[(3E)-2-chloro-3-[(2E)-2-[1-[6-[[1-[3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-methylidenepyrimidin-4-yl]amino]-6-oxohexyl]-3,3-dimethylindol-2-ylidene]ethylidene]cyclohexen-1-yl]ethenyl]-3,3-dimethylindol-1-ium-1-yl]propylamino]-2-oxoethyl]-7,10-bis(formyloxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid;6-[(2E)-2-[(2E)-2-[2-chloro-3-[(E)-2-[1-[6-[2-[(2R,4S,5S)-3-(18F)fluoro-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]hydrazinyl]-6-oxohexyl]-3,3-dimethylindol-1-ium-2-yl]ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-3,3-dimethylindol-1-yl]-N-[1-[3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-methylidenepyrimidin-4-yl]hexanamide;6-[2-[2-[2-chloro-3-[2-[1-[6-[2-[(2R,4S,5S)-3-(18F)fluoro-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]hydrazinyl]-6-oxohexyl]-3,3-dimethylindol-2-ylidene]ethylidene]cyclohexen-1-yl]ethenyl]-3,3-dimethylindol-1-ium-1-yl]hexanoic acid;dichloroplatinum(2+);gadolinium(3+);hydrate (CID 159249119) is azanide;carbanide;2-[4-[2-[3-[2-[(E)-2-[(3E)-2-chloro-3-[(2E)-2-[1-[6-[[1-[3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-methylidenepyrimidin-4-yl]amino]-6-oxohexyl]-3,3-dimethylindol-2-ylidene]ethylidene]cyclohexen-1-yl]ethenyl]-3,3-dimethylindol-1-ium-1-yl]propylamino]-2-oxoethyl]-7,10-bis(formyloxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid;6-[(2E)-2-[(2E)-2-[2-chloro-3-[(E)-2-[1-[6-[2-[(2R,4S,5S)-3-(18F)fluoro-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]hydrazinyl]-6-oxohexyl]-3,3-dimethylindol-1-ium-2-yl]ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-3,3-dimethylindol-1-yl]-N-[1-[3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-methylidenepyrimidin-4-yl]hexanamide;6-[2-[2-[2-chloro-3-[2-[1-[6-[2-[(2R,4S,5S)-3-(18F)fluoro-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]hydrazinyl]-6-oxohexyl]-3,3-dimethylindol-2-ylidene]ethylidene]cyclohexen-1-yl]ethenyl]-3,3-dimethylindol-1-ium-1-yl]hexanoic acid;dichloroplatinum(2+);gadolinium(3+);hydrate.

What is the SMILES notation for azanide;carbanide;2-[4-[2-[3-[2-[(E)-2-[(3E)-2-chloro-3-[(2E)-2-[1-[6-[[1-[3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-methylidenepyrimidin-4-yl]amino]-6-oxohexyl]-3,3-dimethylindol-2-ylidene]ethylidene]cyclohexen-1-yl]ethenyl]-3,3-dimethylindol-1-ium-1-yl]propylamino]-2-oxoethyl]-7,10-bis(formyloxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid;6-[(2E)-2-[(2E)-2-[2-chloro-3-[(E)-2-[1-[6-[2-[(2R,4S,5S)-3-(18F)fluoro-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]hydrazinyl]-6-oxohexyl]-3,3-dimethylindol-1-ium-2-yl]ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-3,3-dimethylindol-1-yl]-N-[1-[3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-methylidenepyrimidin-4-yl]hexanamide;6-[2-[2-[2-chloro-3-[2-[1-[6-[2-[(2R,4S,5S)-3-(18F)fluoro-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]hydrazinyl]-6-oxohexyl]-3,3-dimethylindol-2-ylidene]ethylidene]cyclohexen-1-yl]ethenyl]-3,3-dimethylindol-1-ium-1-yl]hexanoic acid;dichloroplatinum(2+);gadolinium(3+);hydrate?

The canonical SMILES for azanide;carbanide;2-[4-[2-[3-[2-[(E)-2-[(3E)-2-chloro-3-[(2E)-2-[1-[6-[[1-[3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-methylidenepyrimidin-4-yl]amino]-6-oxohexyl]-3,3-dimethylindol-2-ylidene]ethylidene]cyclohexen-1-yl]ethenyl]-3,3-dimethylindol-1-ium-1-yl]propylamino]-2-oxoethyl]-7,10-bis(formyloxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid;6-[(2E)-2-[(2E)-2-[2-chloro-3-[(E)-2-[1-[6-[2-[(2R,4S,5S)-3-(18F)fluoro-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]hydrazinyl]-6-oxohexyl]-3,3-dimethylindol-1-ium-2-yl]ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-3,3-dimethylindol-1-yl]-N-[1-[3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-methylidenepyrimidin-4-yl]hexanamide;6-[2-[2-[2-chloro-3-[2-[1-[6-[2-[(2R,4S,5S)-3-(18F)fluoro-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]hydrazinyl]-6-oxohexyl]-3,3-dimethylindol-2-ylidene]ethylidene]cyclohexen-1-yl]ethenyl]-3,3-dimethylindol-1-ium-1-yl]hexanoic acid;dichloroplatinum(2+);gadolinium(3+);hydrate is C=C1N=C(NC(=O)CCCCCN2/C(=C/C=C3\CCCC(/C=C/C4=[N+](CCCCCC(=O)NN[C@@H]5OC(CO)[C@@H](O)[C@H](O)C5[18F])c5ccccc5C4(C)C)=C3Cl)C(C)(C)c3ccccc32)C=CN1C1OC(CO)C(O)C1(F)F.C=C1N=C(NC(=O)CCCCCN2/C(=C/C=C3\CCCC(/C=C/C4=[N+](CCCNC(=O)CN5CCN(COC=O)CCN(COC=O)CCN(CC(=O)O)CC5)c5ccccc5C4(C)C)=C3Cl)C(C)(C)c3ccccc32)C=CN1C1OC(CO)C(O)C1(F)F.CC1(C)C(=CC=C2CCCC(C=CC3=[N+](CCCCCC(=O)O)c4ccccc4C3(C)C)=C2Cl)N(CCCCCC(=O)NN[C@@H]2OC(CO)[C@@H](O)[C@H](O)C2[18F])c2ccccc21.Cl[Pt+2]Cl.O.[CH3-].[Gd+3].[NH2-].

What is the InChIKey of azanide;carbanide;2-[4-[2-[3-[2-[(E)-2-[(3E)-2-chloro-3-[(2E)-2-[1-[6-[[1-[3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-methylidenepyrimidin-4-yl]amino]-6-oxohexyl]-3,3-dimethylindol-2-ylidene]ethylidene]cyclohexen-1-yl]ethenyl]-3,3-dimethylindol-1-ium-1-yl]propylamino]-2-oxoethyl]-7,10-bis(formyloxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid;6-[(2E)-2-[(2E)-2-[2-chloro-3-[(E)-2-[1-[6-[2-[(2R,4S,5S)-3-(18F)fluoro-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]hydrazinyl]-6-oxohexyl]-3,3-dimethylindol-1-ium-2-yl]ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-3,3-dimethylindol-1-yl]-N-[1-[3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-methylidenepyrimidin-4-yl]hexanamide;6-[2-[2-[2-chloro-3-[2-[1-[6-[2-[(2R,4S,5S)-3-(18F)fluoro-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]hydrazinyl]-6-oxohexyl]-3,3-dimethylindol-2-ylidene]ethylidene]cyclohexen-1-yl]ethenyl]-3,3-dimethylindol-1-ium-1-yl]hexanoic acid;dichloroplatinum(2+);gadolinium(3+);hydrate?

The InChIKey is CBJZXGVDYFROCP-KPIGEJIXSA-O. The full InChI is InChI=1S/C65H85ClF2N10O11.C58H73ClF3N7O9.C48H62ClFN4O7.CH3.2ClH.Gd.H2N.H2O.Pt/c1-46-70-56(26-30-76(46)62-65(67,68)61(86)53(41-79)89-62)71-57(82)21-7-6-12-28-77-51-19-10-8-17-49(51)63(2,3)54(77)24-22-47-15-13-16-48(60(47)66)23-25-55-64(4,5)50-18-9-11-20-52(50)78(55)29-14-27-69-58(83)39-72-31-32-73(40-59(84)85)34-36-75(43-88-45-81)38-37-74(35-33-72)42-87-44-80;1-35-63-46(29-32-67(35)55-58(61,62)53(76)43(34-71)78-55)64-47(72)23-8-6-14-30-68-40-21-12-10-19-38(40)56(2,3)44(68)27-25-36-17-16-18-37(49(36)59)26-28-45-57(4,5)39-20-11-13-22-41(39)69(45)31-15-7-9-24-48(73)65-66-54-50(60)52(75)51(74)42(33-70)77-54;1-47(2)33-18-9-11-20-35(33)53(28-13-5-7-22-40(56)51-52-46-43(50)45(60)44(59)37(30-55)61-46)38(47)26-24-31-16-15-17-32(42(31)49)25-27-39-48(3,4)34-19-10-12-21-36(34)54(39)29-14-6-8-23-41(57)58;;;;;;;/h8-11,17-20,22-26,30,44-45,53,61-62,79,86H,1,6-7,12-16,21,27-29,31-43H2,2-5H3,(H2-,69,70,71,82,83,84,85);10-13,19-22,25-29,32,42-43,50-55,66,70-71,74-76H,1,6-9,14-18,23-24,30-31,33-34H2,2-5H3,(H-,63,64,65,72,73);9-12,18-21,24-27,37,43-46,52,55,59-60H,5-8,13-17,22-23,28-30H2,1-4H3,(H-,51,56,57,58);1H3;2*1H;;2*1H2;/q;;;-1;;;+3;-1;;+4/p+1/t;42?,43?,50?,51-,52-,53?,54-,55?;37?,43?,44-,45-,46-;;;;;;;/m.11......./s1/i;60-1;50-1;;;;;;;.

What are the key properties of azanide;carbanide;2-[4-[2-[3-[2-[(E)-2-[(3E)-2-chloro-3-[(2E)-2-[1-[6-[[1-[3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-methylidenepyrimidin-4-yl]amino]-6-oxohexyl]-3,3-dimethylindol-2-ylidene]ethylidene]cyclohexen-1-yl]ethenyl]-3,3-dimethylindol-1-ium-1-yl]propylamino]-2-oxoethyl]-7,10-bis(formyloxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid;6-[(2E)-2-[(2E)-2-[2-chloro-3-[(E)-2-[1-[6-[2-[(2R,4S,5S)-3-(18F)fluoro-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]hydrazinyl]-6-oxohexyl]-3,3-dimethylindol-1-ium-2-yl]ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-3,3-dimethylindol-1-yl]-N-[1-[3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-methylidenepyrimidin-4-yl]hexanamide;6-[2-[2-[2-chloro-3-[2-[1-[6-[2-[(2R,4S,5S)-3-(18F)fluoro-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]hydrazinyl]-6-oxohexyl]-3,3-dimethylindol-2-ylidene]ethylidene]cyclohexen-1-yl]ethenyl]-3,3-dimethylindol-1-ium-1-yl]hexanoic acid;dichloroplatinum(2+);gadolinium(3+);hydrate?

azanide;carbanide;2-[4-[2-[3-[2-[(E)-2-[(3E)-2-chloro-3-[(2E)-2-[1-[6-[[1-[3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-methylidenepyrimidin-4-yl]amino]-6-oxohexyl]-3,3-dimethylindol-2-ylidene]ethylidene]cyclohexen-1-yl]ethenyl]-3,3-dimethylindol-1-ium-1-yl]propylamino]-2-oxoethyl]-7,10-bis(formyloxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid;6-[(2E)-2-[(2E)-2-[2-chloro-3-[(E)-2-[1-[6-[2-[(2R,4S,5S)-3-(18F)fluoro-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]hydrazinyl]-6-oxohexyl]-3,3-dimethylindol-1-ium-2-yl]ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-3,3-dimethylindol-1-yl]-N-[1-[3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-methylidenepyrimidin-4-yl]hexanamide;6-[2-[2-[2-chloro-3-[2-[1-[6-[2-[(2R,4S,5S)-3-(18F)fluoro-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]hydrazinyl]-6-oxohexyl]-3,3-dimethylindol-2-ylidene]ethylidene]cyclohexen-1-yl]ethenyl]-3,3-dimethylindol-1-ium-1-yl]hexanoic acid;dichloroplatinum(2+);gadolinium(3+);hydrate has a molecular weight of 3695.44 g/mol, XLogP of 22.24, 63 rotatable bonds, 19 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for azanide;carbanide;2-[4-[2-[3-[2-[(E)-2-[(3E)-2-chloro-3-[(2E)-2-[1-[6-[[1-[3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-methylidenepyrimidin-4-yl]amino]-6-oxohexyl]-3,3-dimethylindol-2-ylidene]ethylidene]cyclohexen-1-yl]ethenyl]-3,3-dimethylindol-1-ium-1-yl]propylamino]-2-oxoethyl]-7,10-bis(formyloxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid;6-[(2E)-2-[(2E)-2-[2-chloro-3-[(E)-2-[1-[6-[2-[(2R,4S,5S)-3-(18F)fluoro-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]hydrazinyl]-6-oxohexyl]-3,3-dimethylindol-1-ium-2-yl]ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-3,3-dimethylindol-1-yl]-N-[1-[3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-methylidenepyrimidin-4-yl]hexanamide;6-[2-[2-[2-chloro-3-[2-[1-[6-[2-[(2R,4S,5S)-3-(18F)fluoro-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]hydrazinyl]-6-oxohexyl]-3,3-dimethylindol-2-ylidene]ethylidene]cyclohexen-1-yl]ethenyl]-3,3-dimethylindol-1-ium-1-yl]hexanoic acid;dichloroplatinum(2+);gadolinium(3+);hydrate is sourced from PubChem (CID 159249119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).