pci-45227
chemical compound
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pci-45227
Summary
pci-45227 is a group of stereoisomers[1].
Key Facts
- pci-45227's instance of is recorded as group of stereoisomers[2].
- pci-45227's CAS Registry Number is recorded as 1654820-87-7[3].
- pci-45227's canonical SMILES is recorded as C1CC(CN(C1)C(=O)C(CO)O)N2C3=C(C(=N2)C4=CC=C(C=C4)OC5=CC=CC=C5)C(=NC=N3)N[4].
- pci-45227's InChI is recorded as InChI=1S/C25H26N6O4/c26-23-21-22(16-8-10-19(11-9-16)35-18-6-2-1-3-7-18)29-31(24(21)28-15-27-23)17-5-4-12-30(13-17)25(34)20(33)14-32/h1-3,6-11,15,17,20,32-33H,4-5,12-14H2,(H2,26,27,28)/t17-,20?/m1/s1[5].
- pci-45227's InChIKey is recorded as NWKPMPRXJGMTKQ-DIAVIDTQSA-N[6].
- pci-45227's chemical formula is recorded as C₂₅H₂₆N₆O₄[7].
- pci-45227's subclass of is recorded as chemical compound[8].
- pci-45227's UNII is recorded as 29446230GA[9].
- pci-45227's ChemSpider ID is recorded as 48060435[10].
- pci-45227's PubChem CID is recorded as 91971609[11].
- pci-45227's isomeric SMILES is recorded as C1CC@HN2C3=C(C(=N2)C4=CC=C(C=C4)OC5=CC=CC=C5)C(=NC=N3)NC@HN2C3=C(C(=N2)C4=CC=C(C=C4)OC5=CC=CC=C5)C(=NC=N3)N">[12].
- pci-45227's mass is recorded as {'unit': 'http://www.wikidata.org/entity/Q483261', 'amount': '+474.202'}[13].
- pci-45227's SureChEMBL ID is recorded as 17457268[14].
- pci-45227's UniChem compound ID is recorded as 101680694[15].
- pci-45227's Probes And Drugs ID is recorded as PD143329[16].