5,6-diamino-8-[bis(2-hydroxyethyl)amino]-2-oxo-3-(thiophen-2-ylmethyl)-1H-pyrrolo[2,3-c][2,7]naphthyridin-7-ium-9-carbonitrile

Formula:C20H22N7O3S Mutagenic:high Tumorigenic:high Reproductive Effective:none 5,6-diamino-8-[bis(2-hydroxyethyl)amino]-2-oxo-3-(thiophen-2-ylmethyl)-1H-pyrrolo[2,3-c][2,7]naphthyridin-7-ium-9-carbonitrile is a drug-like molecule.

MolName	5,6-diamino-8-[bis(2-hydroxyethyl)amino]-2-oxo-3-(thiophen-2-ylmethyl)-1H-pyrrolo[2,3-c][2,7]naphthyridin-7-ium-9-carbonitrile
MolecularFormula	C20H22N7O3S
Smiles	Nc(c1c(N)[nH+]c2N(CCO)CCO)nc(N(Cc3cccs3)C(C3)=O)c3c1c2C#N
InChI	InChI=1S/C20H21N7O3S/c21-9-13-15-12-8-14(30)27(10-11-2-1-7-31-11)20(12)25-18(23)16(15)17(22)24-19(13)26(3-5-28)4-6-29/h1-2,7,28-29H,3-6,8,10H2,(H2,22,24)(H2,23,25)/p+1
InChIK	XWFGKTKKMRNSRI-UHFFFAOYSA-O
TotalMolweight	440.507
Molweight	440.507
MonoisotopicMass	440.150483
CLogP	-1.6311
CLogS	-5.979
H Acceptors	10
H Donors	5
TotalSurfaceArea	308.97
Relative PSA	0.39412
PolarSurfaceArea	195.11
Druglikeness	0.92054
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	low
Nasty Functions	1,3-diamino-aryl
Shape Index	0.45161
Fragments	1
Non HAtoms	31
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	7
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	15
Sp3Atoms	8
Symmetricatoms	3
Amides	1
Aromatic Nitrogens	2
BasicNitrogens	2
StereoCon

Click to Load Molecule:

1 - 5,6-diamino-8-[bis(2-hydroxyethyl)amino]-2-oxo-3-(thiophen-2-ylmethyl)-1H-pyrrolo[2,3-c][2,7]naphthyridin-7-ium-9-carbonitrile | 2 - 5,6-diamino-8-[bis(2-hydroxyethyl)amino]-2-oxo-3-(thiophen-2-ylmethyl)-1H-pyrrolo[2,3-c][2,7]naphthyridin-7-ium-9-carbonitrile

Request More Details | 5,6-diamino-8-[bis(2-hydroxyethyl)amino]-2-oxo-3-(thiophen-2-ylmethyl)-1H-pyrrolo[2,3-c][2,7]naphthyridin-7-ium-9-carbonitrile

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments