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3-[5-[(Z)-[(15S,19R)-16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl]iminomethyl]furan-2-yl]benzoic acid

Formula:C30H20N2O5 Mutagenic:high Tumorigenic:high Reproductive Effective:high 3-[5-[(Z)-[(15S,19R)-16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl]iminomethyl]furan-2-yl]benzoic acid is a drug-like molecule.
MolName3-[5-[(Z)-[(15S,19R)-16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl]iminomethyl]furan-2-yl]benzoic acid
MolecularFormulaC30H20N2O5
SmilesOC(c1cccc(-c2ccc(/C=N\N(C([C@H]([C@H]3C4c5c6cccc5)C6c5c4cccc5)=O)C3=O)o2)c1)=O
InChIInChI=1S/C30H20N2O5/c33-28-26-24-19-8-1-2-9-20(19)25(22-11-4-3-10-21(22)24)27(26)29(34)32(28)31-15-18-12-13-23(37-18)16-6-5-7-17(14-16)30(35)36/h1-15,24-27H,(H,35,36)/t24?,25?,26-,27-/m1/s1
InChIKKBCMXYWNHHXGEQ-ATEVHTGXSA-N
TotalMolweight488.498
Molweight488.498
MonoisotopicMass488.137223
CLogP3.5269
CLogS-6.603
H Acceptors7
H Donors1
TotalSurfaceArea346.39
Relative PSA0.23497
PolarSurfaceArea100.18
Druglikeness6.9468
Mutagenichigh
Tumorigenichigh
Reproductive Effectivehigh
Irritantnone
Nasty Functionsimine/hydrazone of aldehyde
Shape Index0.45946
Fragments1
Non HAtoms37
NonCHAtoms7
Electronegative Atoms7
StereoCenters2
Rotatable Bond4
Rings Closures7
Small Rings8
Aromatic Rings4
Aromatic Atoms23
Sp3Atoms5
Symmetricatoms6
AcidicOxygens1
StereoConmeso

Request More Details | 3-[5-[(Z)-[(15S,19R)-16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl]iminomethyl]furan-2-yl]benzoic acid


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