cgp-4832
chemical compound
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cgp-4832
Summary
cgp-4832 is a group of stereoisomers[1].
Key Facts
- cgp-4832's instance of is recorded as group of stereoisomers[2].
- cgp-4832's CAS Registry Number is recorded as 113303-81-4[3].
- cgp-4832's canonical SMILES is recorded as CC1C=CC=C(C(=O)NC2=C(C(=O)C3=C4C(=C(C(=C3C2=O)O)C)OC(C4=O)(OC=CC(C(C(C(C(C(C1O)C)O)C)OC(=O)CC(=O)OCC5CCCN(C5)C)C)OC)C)N6CCOCC6)C[4].
- cgp-4832's InChI is recorded as InChI=1S/C49H65N3O15/c1-25-12-10-13-26(2)48(61)50-38-39(52-17-20-63-21-18-52)44(59)35-36(43(38)58)42(57)30(6)46-37(35)47(60)49(7,67-46)65-19-15-32(62-9)27(3)45(29(5)41(56)28(4)40(25)55)66-34(54)22-33(53)64-24-31-14-11-16-51(8)23-31/h10,12-13,15,19,25,27-29,31-32,40-41,45,55-57H,11,14,16-18,20-24H2,1-9H3,(H,50,61)/b12-10+,19-15+,26-13-/t25-,27+,28+,29+,31?,32-,40-,41+,45+,49-/m0/s1[5].
- cgp-4832's InChIKey is recorded as FRCBXOTYSDSELT-DUULCSDKSA-N[6].
- cgp-4832's chemical formula is recorded as C₄₉H₆₅N₃O₁₅[7].
- cgp-4832's subclass of is recorded as chemical compound[8].
- cgp-4832's UNII is recorded as XUF8PWG90O[9].
- cgp-4832's PubChem CID is recorded as 121225234[10].
- cgp-4832's DrugBank ID is recorded as DB04220[11].
- cgp-4832's isomeric SMILES is recorded as C[C@H]1/C=C/C=C(\C(=O)NC2=C(C(=O)C3=C4C(=C(C(=C3C2=O)O)C)OC@@(O/C=C/C@@HOC)C)N6CCOCC6)/CC@@(O/C=C/C@@HOC)C)N">[12].
- cgp-4832's mass is recorded as {'unit': 'http://www.wikidata.org/entity/Q483261', 'amount': '+935.442'}[13].
- cgp-4832's SureChEMBL ID is recorded as 25809113[14].
- cgp-4832's SureChEMBL ID is recorded as 30457502[15].
- cgp-4832's UniChem compound ID is recorded as 147691644[16].
- cgp-4832's Probes And Drugs ID is recorded as PD077650[17].