4-(4-benzhydrylpiperazin-1-yl)-1-[(4-methylphenyl)methyl]pyrazolo[3,4-d]pyrimidine

Formula:C30H30N6 Mutagenic:none Tumorigenic:none Reproductive Effective:none 4-(4-benzhydrylpiperazin-1-yl)-1-[(4-methylphenyl)methyl]pyrazolo[3,4-d]pyrimidine is a drug-like molecule.

MolName	4-(4-benzhydrylpiperazin-1-yl)-1-[(4-methylphenyl)methyl]pyrazolo[3,4-d]pyrimidine
MolecularFormula	C30H30N6
Smiles	Cc1ccc(Cn2ncc3c2ncnc3N(CC2)CCN2C(c2ccccc2)c2ccccc2)cc1
InChI	InChI=1S/C30H30N6/c1-23-12-14-24(15-13-23)21-36-30-27(20-33-36)29(31-22-32-30)35-18-16-34(17-19-35)28(25-8-4-2-5-9-25)26-10-6-3-7-11-26/h2-15,20,22,28H,16-19,21H2,1H3
InChIK	DJAQWRMNXPMDTP-UHFFFAOYSA-N
TotalMolweight	474.61
Molweight	474.61
MonoisotopicMass	474.253194
CLogP	4.7236
CLogS	-5.572
H Acceptors	6
TotalSurfaceArea	373.28
Relative PSA	0.12559
PolarSurfaceArea	50.08
Druglikeness	7.3466
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.52778
Fragments	1
Non HAtoms	36
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	6
Rings Closures	6
Small Rings	6
Aromatic Rings	5
Aromatic Atoms	27
Sp3Atoms	8
Symmetricatoms	12
Amines	1
AlkylAmines	1
Aromatic Nitrogens	4
BasicNitrogens	1
StereoCon

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