(7S)-7-(furan-2-yl)-2-[(7-methoxy-4-methylquinazolin-2-yl)amino]-7,8-dihydro-6H-quinazolin-5-one

Formula:C22H19N5O3 Mutagenic:none Tumorigenic:none Reproductive Effective:none (7S)-7-(furan-2-yl)-2-[(7-methoxy-4-methylquinazolin-2-yl)amino]-7,8-dihydro-6H-quinazolin-5-one is a drug-like molecule.

MolName	(7S)-7-(furan-2-yl)-2-[(7-methoxy-4-methylquinazolin-2-yl)amino]-7,8-dihydro-6H-quinazolin-5-one
MolecularFormula	C22H19N5O3
Smiles	Cc1nc(Nc(nc2)nc(C[C@@H](C3)c4ccco4)c2C3=O)nc2cc(OC)ccc12
InChI	InChI=1S/C22H19N5O3/c1-12-15-6-5-14(29-2)10-18(15)26-22(24-12)27-21-23-11-16-17(25-21)8-13(9-19(16)28)20-4-3-7-30-20/h3-7,10-11,13H,8-9H2,1-2H3,(H,23,24,25,26,27)/t13-/m0/s1
InChIK	QDXZXBFJGVXZBD-ZDUSSCGKSA-N
TotalMolweight	401.425
Molweight	401.425
MonoisotopicMass	401.14879
CLogP	4.0405
CLogS	-5.827
H Acceptors	8
H Donors	1
TotalSurfaceArea	302.36
Relative PSA	0.30589
PolarSurfaceArea	103.03
Druglikeness	0.62563
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.53333
Fragments	1
Non HAtoms	30
NonCHAtoms	8
Electronegative Atoms	8
StereoCenters	1
Rotatable Bond	4
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	21
Sp3Atoms	6
Aromatic Nitrogens	4
StereoCon	this enantiomer

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1 - (7S)-7-(furan-2-yl)-2-[(7-methoxy-4-methylquinazolin-2-yl)amino]-7,8-dihydro-6H-quinazolin-5-one | 2 - (7S)-7-(furan-2-yl)-2-[(7-methoxy-4-methylquinazolin-2-yl)amino]-7,8-dihydro-6H-quinazolin-5-one

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