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[4-[(Z)-[[6-amino-9-[(2S,3S,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-8-yl]hydrazinylidene]methyl]phenyl] furan-2-carboxylate

Formula:C22H21N7O7 Mutagenic:none Tumorigenic:none Reproductive Effective:none [4-[(Z)-[[6-amino-9-[(2S,3S,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-8-yl]hydrazinylidene]methyl]phenyl] furan-2-carboxylate is not a drug-like molecule.
MolName[4-[(Z)-[[6-amino-9-[(2S,3S,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-8-yl]hydrazinylidene]methyl]phenyl] furan-2-carboxylate
MolecularFormulaC22H21N7O7
SmilesNc1ncnc2c1nc(N/N=C\c(cc1)ccc1OC(c1ccco1)=O)n2[C@H]([C@H]1O)O[C@@H](CO)[C@@H]1O
InChIInChI=1S/C22H21N7O7/c23-18-15-19(25-10-24-18)29(20-17(32)16(31)14(9-30)36-20)22(27-15)28-26-8-11-3-5-12(6-4-11)35-21(33)13-2-1-7-34-13/h1-8,10,14,16-17,20,30-32H,9H2,(H,27,28)(H2,23,24,25)/t14-,16-,17+,20+/m1/s1
InChIKRCZVONGVPOGWCT-PYQAKABTSA-N
TotalMolweight495.451
Molweight495.451
MonoisotopicMass495.150248
CLogP2.4304
CLogS-5.281
H Acceptors14
H Donors5
TotalSurfaceArea354.35
Relative PSA0.46415
PolarSurfaceArea203.37
Druglikeness1.9999
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionsimine/hydrazone of aldehyde
Shape Index0.52778
Fragments1
Non HAtoms36
NonCHAtoms14
Electronegative Atoms14
StereoCenters4
Rotatable Bond8
Rings Closures5
Small Rings5
Aromatic Rings4
Aromatic Atoms20
Sp3Atoms10
Symmetricatoms2
Aromatic Nitrogens4
BasicNitrogens1
StereoConthis enantiomer

Request More Details | [4-[(Z)-[[6-amino-9-[(2S,3S,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-8-yl]hydrazinylidene]methyl]phenyl] furan-2-carboxylate


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