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17-[(Z)-(4-chlorophenyl)methylideneamino]-13-[2-(cyclohexen-1-yl)ethyl]-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:C27H23N6OCl Mutagenic:high Tumorigenic:none Reproductive Effective:none 17-[(Z)-(4-chlorophenyl)methylideneamino]-13-[2-(cyclohexen-1-yl)ethyl]-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 not a drug-like molecule.
MolName17-[(Z)-(4-chlorophenyl)methylideneamino]-13-[2-(cyclohexen-1-yl)ethyl]-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
MolecularFormulaC27H23N6OCl
SmilesO=C1N(CCC2=CCCCC2)C=Nc2c1c1nc3ccccc3nc1n2/N=C\c(cc1)ccc1Cl
InChIInChI=1S/C27H23ClN6O/c28-20-12-10-19(11-13-20)16-30-34-25-23(24-26(34)32-22-9-5-4-8-21(22)31-24)27(35)33(17-29-25)15-14-18-6-2-1-3-7-18/h4-6,8-13,16-17H,1-3,7,14-15H2
InChIKFSZBWOOLQQSDPO-UHFFFAOYSA-N
TotalMolweight482.974
Molweight482.974
MonoisotopicMass482.162186
CLogP5.5528
CLogS-9.55
H Acceptors7
TotalSurfaceArea362.2
Relative PSA0.1889
PolarSurfaceArea75.74
Druglikeness0.9237
Mutagenichigh
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionsimine/hydrazone of aldehyde
Shape Index0.51429
Fragments1
Non HAtoms35
NonCHAtoms8
Electronegative Atoms8
Rotatable Bond5
Rings Closures6
Small Rings6
Aromatic Rings4
Aromatic Atoms19
Sp3Atoms6
Symmetricatoms2
Amides1
Aromatic Nitrogens3
StereoCon

Request More Details | 17-[(Z)-(4-chlorophenyl)methylideneamino]-13-[2-(cyclohexen-1-yl)ethyl]-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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