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(15S,19R)-17-[(Z)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione

Formula:C29H19N2O3Cl Mutagenic:high Tumorigenic:high Reproductive Effective:high (15S,19R)-17-[(Z)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione is a drug-like molecule.
MolName(15S,19R)-17-[(Z)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione
MolecularFormulaC29H19N2O3Cl
SmilesO=C([C@H]([C@@H](C1c2c3cccc2)C2=O)C3c3c1cccc3)N2/N=C\c1ccc(-c(cc2)ccc2Cl)o1
InChIInChI=1S/C29H19ClN2O3/c30-17-11-9-16(10-12-17)23-14-13-18(35-23)15-31-32-28(33)26-24-19-5-1-2-6-20(19)25(27(26)29(32)34)22-8-4-3-7-21(22)24/h1-15,24-27H/t24?,25?,26-,27+
InChIKAUOCMUNWYPFROH-LEABRGHYSA-N
TotalMolweight478.934
Molweight478.934
MonoisotopicMass478.10842
CLogP4.6478
CLogS-7.326
H Acceptors5
TotalSurfaceArea337.71
Relative PSA0.1636
PolarSurfaceArea62.88
Druglikeness7.1369
Mutagenichigh
Tumorigenichigh
Reproductive Effectivehigh
Irritantnone
Nasty Functionsimine/hydrazone of aldehyde
Shape Index0.48571
Fragments1
Non HAtoms35
NonCHAtoms6
Electronegative Atoms6
StereoCenters2
Rotatable Bond3
Rings Closures7
Small Rings8
Aromatic Rings4
Aromatic Atoms23
Sp3Atoms4
Symmetricatoms8
StereoConmeso

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