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[3-[(15S,19S)-16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl]phenyl] furan-2-carboxylate

Formula:C29H19NO5 Mutagenic:none Tumorigenic:none Reproductive Effective:none [3-[(15S,19S)-16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl]phenyl] furan-2-carboxylate is a drug-like molecule.
MolName[3-[(15S,19S)-16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl]phenyl] furan-2-carboxylate
MolecularFormulaC29H19NO5
SmilesO=C(c1ccco1)Oc1cccc(N(C([C@H]([C@@H]2C3c4c5cccc4)C5c4c3cccc4)=O)C2=O)c1
InChIInChI=1S/C29H19NO5/c31-27-25-23-18-9-1-2-10-19(18)24(21-12-4-3-11-20(21)23)26(25)28(32)30(27)16-7-5-8-17(15-16)35-29(33)22-13-6-14-34-22/h1-15,23-26H/t23?,24?,25-,26-/m0/s1
InChIKGIDBELGXGGFGOY-HDLCADABSA-N
TotalMolweight461.472
Molweight461.472
MonoisotopicMass461.126324
CLogP3.5592
CLogS-6.17
H Acceptors6
TotalSurfaceArea325.28
Relative PSA0.2053
PolarSurfaceArea76.82
Druglikeness2.7618
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functions
Shape Index0.42857
Fragments1
Non HAtoms35
NonCHAtoms6
Electronegative Atoms6
StereoCenters2
Rotatable Bond4
Rings Closures7
Small Rings8
Aromatic Rings4
Aromatic Atoms23
Sp3Atoms5
Symmetricatoms13
Amides1
StereoConthis enantiomer

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


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