5-[(E)-[1-(hydroxymethyl)-2-oxoindol-3-ylidene]amino]-1-phenylpyrazolo[3,4-d]pyrimidin-4-one

Formula:C20H14N6O3 Mutagenic:low Tumorigenic:high Reproductive Effective:high 5-[(E)-[1-(hydroxymethyl)-2-oxoindol-3-ylidene]amino]-1-phenylpyrazolo[3,4-d]pyrimidin-4-one is a drug-like molecule.

MolName	5-[(E)-[1-(hydroxymethyl)-2-oxoindol-3-ylidene]amino]-1-phenylpyrazolo[3,4-d]pyrimidin-4-one
MolecularFormula	C20H14N6O3
Smiles	OCN(c(cccc1)c1/C1=N\N(C=Nc2c3cnn2-c2ccccc2)C3=O)C1=O
InChI	InChI=1S/C20H14N6O3/c27-12-24-16-9-5-4-8-14(16)17(20(24)29)23-25-11-21-18-15(19(25)28)10-22-26(18)13-6-2-1-3-7-13/h1-11,27H,12H2
InChIK	VRYUSMODHFDAQF-UHFFFAOYSA-N
TotalMolweight	386.37
Molweight	386.37
MonoisotopicMass	386.112739
CLogP	0.4747
CLogS	-4.605
H Acceptors	9
H Donors	1
TotalSurfaceArea	277.68
Relative PSA	0.31381
PolarSurfaceArea	103.39
Druglikeness	6.3855
Mutagenic	low
Tumorigenic	high
Reproductive Effective	high
Irritant	high
Nasty Functions	formaldehyde aduct
Shape Index	0.51724
Fragments	1
Non HAtoms	29
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	3
Rings Closures	5
Small Rings	5
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	2
Symmetricatoms	2
Amides	1
Aromatic Nitrogens	2
StereoCon

Click to Load Molecule:

1 - 5-[(E)-[1-(hydroxymethyl)-2-oxoindol-3-ylidene]amino]-1-phenylpyrazolo[3,4-d]pyrimidin-4-one | 2 - 5-[(E)-[1-(hydroxymethyl)-2-oxoindol-3-ylidene]amino]-1-phenylpyrazolo[3,4-d]pyrimidin-4-one

Request More Details | 5-[(E)-[1-(hydroxymethyl)-2-oxoindol-3-ylidene]amino]-1-phenylpyrazolo[3,4-d]pyrimidin-4-one

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments