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2-(12-cyclohexyl-1,4-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10(15),11,13-tetraen-4-yl)-N-[(Z)-(2-fluorophenyl)methylideneamino]acetamide

Formula:C29H33N4OF Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-(12-cyclohexyl-1,4-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10(15),11,13-tetraen-4-yl)-N-[(Z)-(2-fluorophenyl)methylideneamino]acetamide is not a drug-like molecule.
MolName2-(12-cyclohexyl-1,4-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10(15),11,13-tetraen-4-yl)-N-[(Z)-(2-fluorophenyl)methylideneamino]acetamide
MolecularFormulaC29H33N4OF
SmilesO=C(CN1C(CCC2)c3c2c(cc(C2CCCCC2)cc2)c2n3CC1)N/N=C\c(cccc1)c1F
InChIInChI=1S/C29H33FN4O/c30-25-11-5-4-9-22(25)18-31-32-28(35)19-33-15-16-34-26-14-13-21(20-7-2-1-3-8-20)17-24(26)23-10-6-12-27(33)29(23)34/h4-5,9,11,13-14,17-18,20,27H,1-3,6-8,10,12,15-16,19H2,(H,32,35)/t27-/m0/s1
InChIKUSKCAKINUZECDZ-MHZLTWQESA-N
TotalMolweight472.606
Molweight472.606
MonoisotopicMass472.263839
CLogP6.6935
CLogS-5.801
H Acceptors5
H Donors1
TotalSurfaceArea363.3
Relative PSA0.1278
PolarSurfaceArea49.63
Druglikeness0.7114
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionsacyl-hydrazone; imine/hydrazone of aldehyde
Shape Index0.57143
Fragments1
Non HAtoms35
NonCHAtoms6
Electronegative Atoms6
StereoCenters1
Rotatable Bond5
Rings Closures6
Small Rings6
Aromatic Rings3
Aromatic Atoms15
Sp3Atoms14
Symmetricatoms2
Amines1
AlkylAmines1
Aromatic Nitrogens1
BasicNitrogens1
StereoConracemate

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