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5-[[2-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino]ethyl-(4-fluorophenyl)sulfonylamino]methyl]-N-[(Z)-(4-fluorophenyl)methylideneamino]-4,5-dihydro-1,2-oxazole-3-carboxamide

Formula:C26H22N6O4ClF5S Mutagenic:none Tumorigenic:high Reproductive Effective:low 5-[[2-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino]ethyl-(4-fluorophenyl)sulfonylamino]methyl]-N-[(Z)-(4-fluorophenyl)methylideneamino]-4,5-dihydro-1,2-oxazole-3-carboxamide is not a drug-like molecule.
MolName5-[[2-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino]ethyl-(4-fluorophenyl)sulfonylamino]methyl]-N-[(Z)-(4-fluorophenyl)methylideneamino]-4,5-dihydro-1,2-oxazole-3-carboxamide
MolecularFormulaC26H22N6O4ClF5S
SmilesO=C(C1=NOC(CN(CCNc(ncc(C(F)(F)F)c2)c2Cl)S(c(cc2)ccc2F)(=O)=O)C1)N/N=C\c(cc1)ccc1F
InChIInChI=1S/C26H22ClF5N6O4S/c27-22-11-17(26(30,31)32)14-34-24(22)33-9-10-38(43(40,41)21-7-5-19(29)6-8-21)15-20-12-23(37-42-20)25(39)36-35-13-16-1-3-18(28)4-2-16/h1-8,11,13-14,20H,9-10,12,15H2,(H,33,34)(H,36,39)/t20-/m1/s1
InChIKYXNIGENYUQHUAD-HXUWFJFHSA-N
TotalMolweight645.008
Molweight645.008
MonoisotopicMass644.103191
CLogP4.9477
CLogS-6.581
H Acceptors10
H Donors2
TotalSurfaceArea440.44
Relative PSA0.25447
PolarSurfaceArea133.73
Druglikeness1.3962
Mutagenicnone
Tumorigenichigh
Reproductive Effectivelow
Irritanthigh
Nasty Functionsacyl-hydrazone; imine/hydrazone of aldehyde
Shape Index0.53488
Fragments1
Non HAtoms43
NonCHAtoms17
Electronegative Atoms17
StereoCenters1
Rotatable Bond11
Rings Closures4
Small Rings4
Aromatic Rings3
Aromatic Atoms18
Sp3Atoms8
Symmetricatoms7
Amides1
Aromatic Nitrogens1
BasicNitrogens1
StereoConracemate

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