Cdk4 inhibitor   

GtoPdb Ligand ID: 5950

Synonyms: indolocarbazole deriv. 4(d) | K00024
Compound class: Synthetic organic
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 3
Rotatable bonds 0
Topological polar surface area 81.51
Molecular weight 403
XLogP 4.81
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES Brc1ccc2c(c1)[nH]c1c2c2c(=O)[nH]c(=O)c2c2c1[nH]c1c2cccc1
Isomeric SMILES Brc1ccc2c(c1)[nH]c1c2c2c(=O)[nH]c(=O)c2c2c1[nH]c1c2cccc1
InChI InChI=1S/C20H10BrN3O2/c21-8-5-6-10-12(7-8)23-18-14(10)16-15(19(25)24-20(16)26)13-9-3-1-2-4-11(9)22-17(13)18/h1-7,22-23H,(H,24,25,26)
InChI Key NMFKDDRQSNVETB-UHFFFAOYSA-N
Classification
Compound class Synthetic organic
IUPAC Name
6-bromo-3,13,23-triazahexacyclo[14.7.0.0^{2,10}.0^{4,9}.0^{11,15}.0^{17,22}]tricosa-1(16),2(10),4,6,8,11(15),17,19,21-nonaene-12,14-dione
Synonyms
indolocarbazole deriv. 4(d) | K00024
Database Links
CAS Registry No. 546102-60-7
ChEMBL Ligand CHEMBL64758
GtoPdb PubChem SID 178102573
PubChem CID 5330797
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