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13-[2-(cyclohexen-1-yl)ethyl]-17-[(Z)-pyridin-3-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:C26H23N7O Mutagenic:high Tumorigenic:none Reproductive Effective:none 13-[2-(cyclohexen-1-yl)ethyl]-17-[(Z)-pyridin-3-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)-pyridin-3-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
MolecularFormulaC26H23N7O
SmilesO=C1N(CCC2=CCCCC2)C=Nc2c1c1nc3ccccc3nc1n2/N=C\c1cnccc1
InChIInChI=1S/C26H23N7O/c34-26-22-23-25(31-21-11-5-4-10-20(21)30-23)33(29-16-19-9-6-13-27-15-19)24(22)28-17-32(26)14-12-18-7-2-1-3-8-18/h4-7,9-11,13,15-17H,1-3,8,12,14H2
InChIKSQXBNYSZHTXOAZ-UHFFFAOYSA-N
TotalMolweight449.517
Molweight449.517
MonoisotopicMass449.196408
CLogP3.9459
CLogS-8.019
H Acceptors8
TotalSurfaceArea345.54
Relative PSA0.22976
PolarSurfaceArea88.63
Druglikeness0.89559
Mutagenichigh
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionsimine/hydrazone of aldehyde
Shape Index0.5
Fragments1
Non HAtoms34
NonCHAtoms8
Electronegative Atoms8
Rotatable Bond5
Rings Closures6
Small Rings6
Aromatic Rings4
Aromatic Atoms19
Sp3Atoms6
Amides1
Aromatic Nitrogens4
StereoCon

Request More Details | 13-[2-(cyclohexen-1-yl)ethyl]-17-[(Z)-pyridin-3-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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