allophylane

AlkaPlorer ID: AK017113

Synonym: None

IUPAC Name: None

Structure

SMILES: C(C(=O)NCC(C1=CC=CC=C1)C(NC(=O)C1=CC=CC=C1)C(=O)OCC(NC(=O)C1=CC=CC=C1)C(CNC(=O)/C(NC)=C(/[18F])C)C1=CC=CC=C1)N(C)C

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InChI: InChI=1S/C43H49FN6O6/c1-29(44)38(45-2)42(54)47-25-34(30-17-9-5-10-18-30)36(48-40(52)32-21-13-7-14-22-32)28-56-43(55)39(49-41(53)33-23-15-8-16-24-33)35(31-19-11-6-12-20-31)26-46-37(51)27-50(3)4/h5-24,34-36,39,45H,25-28H2,1-4H3,(H,46,51)(H,47,54)(H,48,52)(H,49,53)/b38-29-/i44-1

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InChIKey: PGDBHABVOGYQLJ-PEYPGUROSA-N

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Source

Properties Information

Molecule Weight: 763.901938

TPSA: 157.97000000000003

MolLogP: 3.908800000000003

Number of H-Donors: 5

Number of H-Acceptors: 8

RingCount: 4

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information