![N-[1-(3-Benzyl-7-chloro-4-oxo-3,4-dihydro-quinazolin-2-yl)-propyl]-4-bromo-N-(3-dimethylamino-propyl)-benzamide structure, CAS 336115-72-1](/structures/80000/78794_2_336115_72_1.png)
CAS Number336115-72-1
SynonymsExact Mass 594.14000; PSA 58.44000; LogP 6.40590; Index of Refraction 1.621; InChIKey PZVLDHUUSWUATQ-UHFFFAOYSA-N; CK-0106023Bioassay; View more; Source: ChEMBL; Target: HepG2; External Id: CHEMBL1286527; Name: Cytotoxicity against human AGS cells after 48 hrs by SRB assay; Target: AGS; External Id: CHEMBL1821035; Target: HT-29; External Id: CHEMBL1167724; Target: Mus musculus; External Id: CHEMBL1821494; External Id: CHEMBL1167550; Target: CCRF S-180; External Id: CHEMBL1821497; Name: Antiproliferative activity against human AGS cells after 24 hrs by SRB assay; External Id: CHEMBL1167549; Target: A549; External Id: CHEMBL1167548; Name: Inhibition of human full-length Eg5 ATPase activity expressed in Escherichia coli ass...; Target: Kinesin-like protein KIF11; External Id: CHEMBL1286523; N
Molecular FormulaC30H32BrClN4O2
Molecular Weight595.95800
Density1.319g/cm3
Boiling Point717.035ºC at 760 mmHg
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 336115-72-1 |
| Catalog No. | 2A-9078794 |
| Chinese Name | CK-0106023 |
| Synonyms | Exact Mass 594.14000; PSA 58.44000; LogP 6.40590; Index of Refraction 1.621; InChIKey PZVLDHUUSWUATQ-UHFFFAOYSA-N; CK-0106023Bioassay; View more; Source: ChEMBL; Target: HepG2; External Id: CHEMBL1286527; Name: Cytotoxicity against human AGS cells after 48 hrs by SRB assay; Target: AGS; External Id: CHEMBL1821035; Target: HT-29; External Id: CHEMBL1167724; Target: Mus musculus; External Id: CHEMBL1821494; External Id: CHEMBL1167550; Target: CCRF S-180; External Id: CHEMBL1821497; Name: Antiproliferative activity against human AGS cells after 24 hrs by SRB assay; External Id: CHEMBL1167549; Target: A549; External Id: CHEMBL1167548; Name: Inhibition of human full-length Eg5 ATPase activity expressed in Escherichia coli ass...; Target: Kinesin-like protein KIF11; External Id: CHEMBL1286523; N |
| Molecular Formula | C30H32BrClN4O2 |
| Molecular Weight | 595.95800 |
| Density | 1.319g/cm3 |
| Boiling Point | 717.035ºC at 760 mmHg |
| PubChem ID | 16347332 |
| SMILES | CCC(c1nc2cc(Cl)ccc2c(=O)n1Cc1ccccc1)N(CCCN(C)C)C(=O)c1ccc(Br)cc1 |
| InChI | InChI=1S/C30H32BrClN4O2/c1-4-27(35(18-8-17-34(2)3)29(37)22-11-13-23(31)14-12-22)28-33-26-19-24(32)15-16-25(26)30(38)36(28)20-21-9-6-5-7-10-21/h5-7,9-16,19,27H,4,8,17-18,20H2,1-3H3 |
| InChI Key | PZVLDHUUSWUATQ-UHFFFAOYSA-N |
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