5,6-diamino-8-(azepan-1-yl)-3-naphthalen-2-yl-2-oxo-1H-pyrrolo[2,3-c][2,7]naphthyridin-7-ium-9-carbonitrile

Formula:C27H26N7O Mutagenic:low Tumorigenic:high Reproductive Effective:none 5,6-diamino-8-(azepan-1-yl)-3-naphthalen-2-yl-2-oxo-1H-pyrrolo[2,3-c][2,7]naphthyridin-7-ium-9-carbonitrile is a drug-like molecule.

MolName	5,6-diamino-8-(azepan-1-yl)-3-naphthalen-2-yl-2-oxo-1H-pyrrolo[2,3-c][2,7]naphthyridin-7-ium-9-carbonitrile
MolecularFormula	C27H26N7O
Smiles	Nc(c1c(N)[nH+]c2N3CCCCCC3)nc(N(C(C3)=O)c4cc5ccccc5cc4)c3c1c2C#N
InChI	InChI=1S/C27H25N7O/c28-15-20-22-19-14-21(35)34(18-10-9-16-7-3-4-8-17(16)13-18)27(19)32-25(30)23(22)24(29)31-26(20)33-11-5-1-2-6-12-33/h3-4,7-10,13H,1-2,5-6,11-12,14H2,(H2,29,31)(H2,30,32)/p+1
InChIK	AEBYRWFZPRTAIZ-UHFFFAOYSA-O
TotalMolweight	464.551
Molweight	464.551
MonoisotopicMass	464.219883
CLogP	2.4145
CLogS	-9.912
H Acceptors	8
H Donors	3
TotalSurfaceArea	335.19
Relative PSA	0.22438
PolarSurfaceArea	126.41
Druglikeness	-5.47
Mutagenic	low
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	1,3-diamino-aryl
Shape Index	0.45714
Fragments	1
Non HAtoms	35
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	2
Rings Closures	6
Small Rings	6
Aromatic Rings	4
Aromatic Atoms	20
Sp3Atoms	7
Symmetricatoms	3
Amides	1
Aromatic Nitrogens	2
BasicNitrogens	2
StereoCon

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1 - 5,6-diamino-8-(azepan-1-yl)-3-naphthalen-2-yl-2-oxo-1H-pyrrolo[2,3-c][2,7]naphthyridin-7-ium-9-carbonitrile | 2 - 5,6-diamino-8-(azepan-1-yl)-3-naphthalen-2-yl-2-oxo-1H-pyrrolo[2,3-c][2,7]naphthyridin-7-ium-9-carbonitrile

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