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C22H23N7O3Cl2 | Cheminformatics
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N-[(Z)-[5-(3,4-dichlorophenyl)furan-2-yl]methylideneamino]-4-morpholin-4-yl-6-(1,3-oxazinan-3-yl)-1,3,5-triazin-2-amine

Molecular Formula : C22H23N7O3Cl2 | Mutagenic : high | Tumorigenic : high | Reproductive Effective : high |
N-[(Z)-[5-(3,4-dichlorophenyl)furan-2-yl]methylideneamino]-4-morpholin-4-yl-6-(1,3-oxazinan-3-yl)-1,3,5-triazin-2-amine is not a drug-like molecule.

MolName : N-[(Z)-[5-(3,4-dichlorophenyl)furan-2-yl]methylideneamino]-4-morpholin-4-yl-6-(1,3-oxazinan-3-yl)-1,3,5-triazin-2-amine

MolecularFormula : C22H23N7O3Cl2

Smiles : Clc(ccc(-c1ccc(/C=N\Nc2nc(N3COCCC3)nc(N3CCOCC3)n2)o1)c1)c1Cl

InChI : InChI=1S/C22H23Cl2N7O3/c23-17-4-2-15(12-18(17)24)19-5-3-16(34-19)13-25-29-20-26-21(30-7-10-32-11-8-30)28-22(27-20)31-6-1-9-33-14-31/h2-5,12-13H,1,6-11,14H2,(H,26,27,28,29)

InChIK : YYUOURGGNHQKLR-UHFFFAOYSA-N

TotalMolweight : 504.377

Molweight : 504.377

MonoisotopicMass : 503.123942

CLogP : 6.226

CLogS : -7.272

H Acceptors : 10

H Donors : 1

TotalSurfaceArea : 369.49

Relative PSA : 0.26277

PolarSurfaceArea : 101.14

Druglikeness : 5.1161

Mutagenic : high

Tumorigenic : high

Reproductive Effective : high

Irritant : high

Nasty Functions : imine/hydrazone of aldehyde

Shape Index : 0.52941

Fragments : 1

Non HAtoms : 34

NonCHAtoms : 12

Electronegative Atoms : 12

Rotatable Bond : 6

Rings Closures : 5

Small Rings : 5

Aromatic Rings : 3

Aromatic Atoms : 17

Sp3Atoms : 10

Symmetricatoms : 2

Aromatic Nitrogens : 3

BasicNitrogens : 3

StereoCon :

Click to Load Molecule:
1 - N-[(Z)-[5-(3,4-dichlorophenyl)furan-2-yl]methylideneamino]-4-morpholin-4-yl-6-(1,3-oxazinan-3-yl)-1,3,5-triazin-2-amine
2 - N-[(Z)-[5-(3,4-dichlorophenyl)furan-2-yl]methylideneamino]-4-morpholin-4-yl-6-(1,3-oxazinan-3-yl)-1,3,5-triazin-2-amine
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