CARBOXYAMIDOTRIAZOLE

Search structure
Synonyms:
Status: Phase 3
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 6ST3ZF52WB

Structure
InChI Key WNRZHQBJSXRYJK-UHFFFAOYSA-N
Smile NC(=O)c1nnn(Cc2cc(Cl)c(C(=O)c3ccc(Cl)cc3)c(Cl)c2)c1N
InChI
InChI=1S/C17H12Cl3N5O2/c18-10-3-1-9(2-4-10)15(26)13-11(19)5-8(6-12(13)20)7-25-16(21)14(17(22)27)23-24-25/h1-6H,7,21H2,(H2,22,27)

Physicochemical Descriptors

Property Name Value
Molecular Formula C17H12Cl3N5O2
Molecular Weight 424.68
AlogP 3.2
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 5.0
Polar Surface Area 116.89
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 27.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Carcinoma, Non-Small-Cell Lung 3 D002289 ClinicalTrials
Carcinoma, Renal Cell 2 D002292 ClinicalTrials
Gliosarcoma 2 D018316 ClinicalTrials
Peritoneal Neoplasms 2 D010534 ClinicalTrials
Fallopian Tube Neoplasms 2 D005185 ClinicalTrials
Kidney Neoplasms 2 D007680 ClinicalTrials
Ovarian Neoplasms 2 D010051 ClinicalTrials
Neoplasms 1 D009369 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
CAS NUMBER 99519-84-3
ChEMBL CHEMBL95431
DrugBank DB11960
EPA CompTox DTXSID40244108
FDA SRS 6ST3ZF52WB
PubChem 108144
SureChEMBL SCHEMBL18866
ZINC ZINC000000538116
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