Fumiquinazoline I

AlkaPlorer ID: AK026790

Synonym: None

IUPAC Name: (1S,4R)-4-[[(2S,3aR,4R)-4-hydroxy-2-(2-methylpropyl)-1-oxo-3,3a-dihydro-2H-imidazo[1,2-a]indol-4-yl]methyl]-1-methyl-2,4-dihydro-1H-pyrazino[2,1-b]quinazoline-3,6-dione

Structure

SMILES: CC(C)C[C@@H]1N[C@@H]2N(C1=O)C1=CC=CC=C1[C@]2(O)C[C@@H]1C(=O)N[C@@H](C)C2=NC3=CC=CC=C3C(=O)N21

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InChI: InChI=1S/C27H29N5O4/c1-14(2)12-19-25(35)32-20-11-7-5-9-17(20)27(36,26(32)30-19)13-21-23(33)28-15(3)22-29-18-10-6-4-8-16(18)24(34)31(21)22/h4-11,14-15,19,21,26,30,36H,12-13H2,1-3H3,(H,28,33)/t15-,19-,21+,26+,27+/m0/s1

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InChIKey: XQIGVMVJGPFNDE-YGHANTCSSA-N

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Properties Information

Molecule Weight: 487.5600000000002

TPSA: 116.56000000000004

MolLogP: 2.0969

Number of H-Donors: 3

Number of H-Acceptors: 7

RingCount: 6

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information