trilaciclib   

GtoPdb Ligand ID: 9626

Synonyms: G1T28
Compound class: Synthetic organic
Comment: Trilaciclib (G1T28) is an investigational short-acting CDK4/6 inhibitor being developed by G1 Therapeutics [2].
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 8
Hydrogen bond donors 2
Rotatable bonds 3
Topological polar surface area 91.21
Molecular weight 446.25
XLogP 3.65
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES CN1CCN(CC1)c1ccc(nc1)Nc1ncc2c(n1)n1c(c2)C(=O)NCC21CCCCC2
Isomeric SMILES CN1CCN(CC1)c1ccc(nc1)Nc1ncc2c(n1)n1c(c2)C(=O)NCC21CCCCC2
InChI InChI=1S/C24H30N8O/c1-30-9-11-31(12-10-30)18-5-6-20(25-15-18)28-23-26-14-17-13-19-22(33)27-16-24(7-3-2-4-8-24)32(19)21(17)29-23/h5-6,13-15H,2-4,7-12,16H2,1H3,(H,27,33)(H,25,26,28,29)
InChI Key PDGKHKMBHVFCMG-UHFFFAOYSA-N
Classification
Compound class Synthetic organic
IUPAC Name
2-[[5-(4-methylpiperazin-1-yl)pyridin-2-yl]amino]spiro[7,8-dihydropyrazino[5,6]pyrrolo[1,2-d]pyrimidine-9,1'-cyclohexane]-6-one
International Nonproprietary Names
INN number INN
10565 trilaciclib
Synonyms
G1T28
Database Links
CAS Registry No. 1374743-00-6 (source: WHO INN record)
GtoPdb PubChem SID 340590256
PubChem CID 68029831
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