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C27H30N6O2 | Cheminformatics
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(E)-3-[4-[6-[(E)-3-imino-3-morpholin-4-ylprop-1-enyl]imidazo[1,2-a]pyridin-2-yl]phenyl]-1-morpholin-4-ylprop-2-en-1-imine

Molecular Formula : C27H30N6O2 | Mutagenic : none | Tumorigenic : none | Reproductive Effective : high |
(E)-3-[4-[6-[(E)-3-imino-3-morpholin-4-ylprop-1-enyl]imidazo[1,2-a]pyridin-2-yl]phenyl]-1-morpholin-4-ylprop-2-en-1-imine is a drug-like molecule.

MolName : (E)-3-[4-[6-[(E)-3-imino-3-morpholin-4-ylprop-1-enyl]imidazo[1,2-a]pyridin-2-yl]phenyl]-1-morpholin-4-ylprop-2-en-1-imine

MolecularFormula : C27H30N6O2

Smiles : N=C(/C=C/c(cc1)ccc1-c1cn(cc(/C=C/C(N2CCOCC2)=N)cc2)c2n1)N1CCOCC1

InChI : InChI=1S/C27H30N6O2/c28-25(31-11-15-34-16-12-31)8-3-21-1-6-23(7-2-21)24-20-33-19-22(5-10-27(33)30-24)4-9-26(29)32-13-17-35-18-14-32/h1-10,19-20,28-29H,11-18H2

InChIK : IMZJVKIUFRTFGS-UHFFFAOYSA-N

TotalMolweight : 470.575

Molweight : 470.575

MonoisotopicMass : 470.243024

CLogP : 1.5613

CLogS : -3.195

H Acceptors : 8

H Donors : 2

TotalSurfaceArea : 374.33

Relative PSA : 0.20629

PolarSurfaceArea : 89.94

Druglikeness : 2.4056

Mutagenic : none

Tumorigenic : none

Reproductive Effective : high

Irritant : none

Nasty Functions :

Shape Index : 0.65714

Fragments : 1

Non HAtoms : 35

NonCHAtoms : 8

Electronegative Atoms : 8

Rotatable Bond : 5

Rings Closures : 5

Small Rings : 5

Aromatic Rings : 3

Aromatic Atoms : 15

Sp3Atoms : 10

Symmetricatoms : 6

Aromatic Nitrogens : 2

BasicNitrogens : 3

StereoCon :

Click to Load Molecule:
1 - (E)-3-[4-[6-[(E)-3-imino-3-morpholin-4-ylprop-1-enyl]imidazo[1,2-a]pyridin-2-yl]phenyl]-1-morpholin-4-ylprop-2-en-1-imine
2 - (E)-3-[4-[6-[(E)-3-imino-3-morpholin-4-ylprop-1-enyl]imidazo[1,2-a]pyridin-2-yl]phenyl]-1-morpholin-4-ylprop-2-en-1-imine
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