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13-[2-(cyclohexen-1-yl)ethyl]-17-[(Z)-furan-2-ylmethylideneamino]-2,9,13,15,17-pentazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),14-heptaen-12-one

Formula:C25H22N6O2 Mutagenic:high Tumorigenic:none Reproductive Effective:none 13-[2-(cyclohexen-1-yl)ethyl]-17-[(Z)-furan-2-ylmethylideneamino]-2,9,13,15,17-pentazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),14-heptaen-12-one is a drug-like molecule.
MolName13-[2-(cyclohexen-1-yl)ethyl]-17-[(Z)-furan-2-ylmethylideneamino]-2,9,13,15,17-pentazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),14-heptaen-12-one
MolecularFormulaC25H22N6O2
SmilesO=C1N(CCC2=CCCCC2)C=Nc2c1c1nc3ccccc3nc1n2/N=C\c1ccco1
InChIInChI=1S/C25H22N6O2/c32-25-21-22-24(29-20-11-5-4-10-19(20)28-22)31(27-15-18-9-6-14-33-18)23(21)26-16-30(25)13-12-17-7-2-1-3-8-17/h4-7,9-11,14-16H,1-3,8,12-13H2
InChIKDDOIMADFVLGKHN-UHFFFAOYSA-N
TotalMolweight438.49
Molweight438.49
MonoisotopicMass438.180424
CLogP4.1355
CLogS-8.496
H Acceptors8
TotalSurfaceArea336.47
Relative PSA0.24528
PolarSurfaceArea88.88
Druglikeness0.53915
Mutagenichigh
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionsimine/hydrazone of aldehyde
Shape Index0.48485
Fragments1
Non HAtoms33
NonCHAtoms8
Electronegative Atoms8
Rotatable Bond5
Rings Closures6
Small Rings6
Aromatic Rings4
Aromatic Atoms18
Sp3Atoms6
Amides1
Aromatic Nitrogens3
StereoCon

Request More Details | 13-[2-(cyclohexen-1-yl)ethyl]-17-[(Z)-furan-2-ylmethylideneamino]-2,9,13,15,17-pentazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),14-heptaen-12-one


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