C68H76KN11O11 — CID 159178882
potassium;4-(6-aminohexylamino)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-4-[[8-oxo-10-(5H-pyrido[4,3-b]indol-7-yl)decyl]amino]isoindole-1,3-dione;hydride;methane;3-(5H-pyrido[4,3-b]indol-7-yl)propanoic acid (PubChem CID 159178882) has the molecular formula C68H76KN11O11 and a molecular weight of 1262.52 g/mol. Its IUPAC name is potassium;4-(6-aminohexylamino)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-4-[[8-oxo-10-(5H-pyrido[4,3-b]indol-7-yl)decyl]amino]isoindole-1,3-dione;hydride;methane;3-(5H-pyrido[4,3-b]indol-7-yl)propanoic acid.
| Compound Name | potassium;4-(6-aminohexylamino)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-4-[[8-oxo-10-(5H-pyrido[4,3-b]indol-7-yl)decyl]amino]isoindole-1,3-dione;hydride;methane;3-(5H-pyrido[4,3-b]indol-7-yl)propanoic acid |
|---|---|
| PubChem CID | 159178882 |
| Molecular Formula | C68H76KN11O11 |
| Molecular Weight | 1262.52 g/mol |
| Exact Mass | 1261.54 |
| IUPAC Name | potassium;4-(6-aminohexylamino)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-4-[[8-oxo-10-(5H-pyrido[4,3-b]indol-7-yl)decyl]amino]isoindole-1,3-dione;hydride;methane;3-(5H-pyrido[4,3-b]indol-7-yl)propanoic acid |
| SMILES | C.NCCCCCCNc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O.O=C(CCCCCCCNc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O)CCc1ccc2c(c1)[nH]c1ccncc12.O=C(O)CCc1ccc2c(c1)[nH]c1ccncc12.[H-].[K+] |
| InChI | InChI=1S/C34H35N5O5.C19H24N4O4.C14H12N2O2.CH4.K.H/c40-22(12-10-21-11-13-23-25-20-35-18-16-26(25)37-28(23)19-21)7-4-2-1-3-5-17-36-27-9-6-8-24-31(27)34(44)39(33(24)43)29-14-15-30(41)38-32(29)42;20-10-3-1-2-4-11-21-13-7-5-6-12-16(13)19(27)23(18(12)26)14-8-9-15(24)22-17(14)25;17-14(18)4-2-9-1-3-10-11-8-15-6-5-12(11)16-13(10)7-9;;;/h6,8-9,11,13,16,18-20,29,36-37H,1-5,7,10,12,14-15,17H2,(H,38,41,42);5-7,14,21H,1-4,8-11,20H2,(H,22,24,25);1,3,5-8,16H,2,4H2,(H,17,18);1H4;;/q;;;;+1;-1 |
| InChIKey | FJHLVUPKARTOCV-UHFFFAOYSA-N |
| XLogP | 6.58 |
| TPSA | 328.91 Ų |
| H-Bond Donors | 8 |
| H-Bond Acceptors | 15 |
| Rotatable Bonds | 24 |
| Heavy Atoms | 91 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1262.52 |
| LogP ≤ 5 | 6.58 |
| H-Bond Donors ≤ 5 | 8 |
| H-Bond Acceptors ≤ 10 | 15 |
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'} |
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