CID2487985

(Difference between revisions)

Current revision

CID2487985
Systematic (IUPAC) name
(2R)-N-(1,3-benzodioxol-5-ylmethyl)-2-(7-chloro-3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanylpropanamide
Identifiers
CAS number	?
ATC code	?
PubChem	2487985
Chemical data
Formula	C₂₄H₂₄ClN₃O₄S
Mol. mass	485.98306
SMILES	eMolecules & PubChem
Pharmacokinetic data
Bioavailability	?
Metabolism	?
Half life	?
Excretion	?
Therapeutic considerations
Pregnancy cat.	?
Legal status
Routes	?

*Molecular Weight

485.98306

*Molecular Formula

C₂₄H₂₄ClN₃O₄S

*IUPAC NAME

(2R)-N-(1,3-benzodioxol-5-ylmethyl)-2-(7-chloro-3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanylpropanamide

*Canonical Smiles

CC(C(=O)NCC1=CC2=C(C=C1)OCO2)SC3=NC4=C(C=CC(=C4)Cl)C(=O)N3C5CCCC5

*Isomeric Smiles

C[C@H](C(=O)NCC1=CC2=C(C=C1)OCO2)SC3=NC4=C(C=CC(=C4)Cl)C(=O)N3C5CCCC5

*XLogP

4.1

*Topological Polar Surface Area

80.2

Revision as of 11:17, 10 December 2009 (edit) Neetikagambhir (Talk \| contribs) (→External Links) ← Previous diff		Current revision (04:11, 11 December 2009) (edit) (undo) Neetikagambhir (Talk \| contribs) (→External Links)
Line 60:		Line 60:

	[http://crdd.osdd.net/raghava/biadb/detail.php?id=1390 Link to BIAdb Database]		[http://crdd.osdd.net/raghava/biadb/detail.php?id=1390 Link to BIAdb Database]
-	[[Category:~~BIAdb~~]]	+	[[Category:BIAdb_old]]