(4E)-2-benzyl-4-[[4-(carboxymethoxy)phenyl]methylidene]-1,3-dihydrobenzo[b][1,6]naphthyridine-10-carboxylic acid

Formula:C29H24N2O5 Mutagenic:none Tumorigenic:none Reproductive Effective:none (4E)-2-benzyl-4-[[4-(carboxymethoxy)phenyl]methylidene]-1,3-dihydrobenzo[b][1,6]naphthyridine-10-carboxylic acid is a drug-like molecule.

MolName	(4E)-2-benzyl-4-[[4-(carboxymethoxy)phenyl]methylidene]-1,3-dihydrobenzo[b][1,6]naphthyridine-10-carboxylic acid
MolecularFormula	C29H24N2O5
Smiles	OC(COc1ccc(/C=C2/c3nc4ccccc4c(C(O)=O)c3CN(Cc3ccccc3)C2)cc1)=O
InChI	InChI=1S/C29H24N2O5/c32-26(33)18-36-22-12-10-19(11-13-22)14-21-16-31(15-20-6-2-1-3-7-20)17-24-27(29(34)35)23-8-4-5-9-25(23)30-28(21)24/h1-14H,15-18H2,(H,32,33)(H,34,35)
InChIK	QUFSLQCHKSWFPJ-UHFFFAOYSA-N
TotalMolweight	480.519
Molweight	480.519
MonoisotopicMass	480.168523
CLogP	2.2818
CLogS	-4.7
H Acceptors	7
H Donors	2
TotalSurfaceArea	360.89
Relative PSA	0.21281
PolarSurfaceArea	99.96
Druglikeness	2.9352
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.47222
Fragments	1
Non HAtoms	36
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	7
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	22
Sp3Atoms	8
Symmetricatoms	4
Amines	1
AlkylAmines	1
Aromatic Nitrogens	1
BasicNitrogens	1
AcidicOxygens	2
StereoCon

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1 - (4E)-2-benzyl-4-[[4-(carboxymethoxy)phenyl]methylidene]-1,3-dihydrobenzo[b][1,6]naphthyridine-10-carboxylic acid | 2 - (4E)-2-benzyl-4-[[4-(carboxymethoxy)phenyl]methylidene]-1,3-dihydrobenzo[b][1,6]naphthyridine-10-carboxylic acid

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