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(2S,3S,4R,5S)-2-[6-amino-8-[(2Z)-2-[(4-phenylmethoxyphenyl)methylidene]hydrazinyl]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol

Formula:C24H25N7O5 Mutagenic:none Tumorigenic:none Reproductive Effective:none (2S,3S,4R,5S)-2-[6-amino-8-[(2Z)-2-[(4-phenylmethoxyphenyl)methylidene]hydrazinyl]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol is not a drug-like molecule.
MolName(2S,3S,4R,5S)-2-[6-amino-8-[(2Z)-2-[(4-phenylmethoxyphenyl)methylidene]hydrazinyl]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
MolecularFormulaC24H25N7O5
SmilesNc1c2nc(N/N=C\c(cc3)ccc3OCc3ccccc3)n([C@H]([C@H]3O)O[C@@H](CO)[C@@H]3O)c2ncn1
InChIInChI=1S/C24H25N7O5/c25-21-18-22(27-13-26-21)31(23-20(34)19(33)17(11-32)36-23)24(29-18)30-28-10-14-6-8-16(9-7-14)35-12-15-4-2-1-3-5-15/h1-10,13,17,19-20,23,32-34H,11-12H2,(H,29,30)(H2,25,26,27)/t17-,19+,20+,23-/m0/s1
InChIKGWQIOASEJRELEB-CLWLKPMESA-N
TotalMolweight491.507
Molweight491.507
MonoisotopicMass491.191718
CLogP3.1593
CLogS-5.47
H Acceptors12
H Donors5
TotalSurfaceArea360.67
Relative PSA0.38074
PolarSurfaceArea173.16
Druglikeness1.2283
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionsimine/hydrazone of aldehyde
Shape Index0.55556
Fragments1
Non HAtoms36
NonCHAtoms12
Electronegative Atoms12
StereoCenters4
Rotatable Bond8
Rings Closures5
Small Rings5
Aromatic Rings4
Aromatic Atoms21
Sp3Atoms11
Symmetricatoms4
Aromatic Nitrogens4
BasicNitrogens1
StereoConthis enantiomer

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