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(5'Z)-5'-[[5-(3,5-dichlorophenyl)furan-2-yl]methylidene]-2-phenylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,4'-1,3-thiazolidine]-2'-one

Formula:C29H19N3O3Cl2S Mutagenic:low Tumorigenic:high Reproductive Effective:none (5'Z)-5'-[[5-(3,5-dichlorophenyl)furan-2-yl]methylidene]-2-phenylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,4'-1,3-thiazolidine]-2'-one is not a drug-like molecule.
MolName(5'Z)-5'-[[5-(3,5-dichlorophenyl)furan-2-yl]methylidene]-2-phenylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,4'-1,3-thiazolidine]-2'-one
MolecularFormulaC29H19N3O3Cl2S
SmilesO=C(NC1(N(C2C3)N=C3c3ccccc3)Oc3c2cccc3)S/C1=C\c1ccc(-c2cc(Cl)cc(Cl)c2)o1
InChIInChI=1S/C29H19Cl2N3O3S/c30-19-12-18(13-20(31)14-19)25-11-10-21(36-25)15-27-29(32-28(35)38-27)34-24(22-8-4-5-9-26(22)37-29)16-23(33-34)17-6-2-1-3-7-17/h1-15,24H,16H2,(H,32,35)
InChIKKJFHVVSBKMBBDG-UHFFFAOYSA-N
TotalMolweight560.46
Molweight560.46
MonoisotopicMass559.052416
CLogP8.0243
CLogS-9.128
H Acceptors6
H Donors1
TotalSurfaceArea383.92
Relative PSA0.2114
PolarSurfaceArea92.37
Druglikeness5.5255
Mutageniclow
Tumorigenichigh
Reproductive Effectivenone
Irritantnone
Nasty Functions
Shape Index0.44737
Fragments1
Non HAtoms38
NonCHAtoms9
Electronegative Atoms9
StereoCenters2
Rotatable Bond3
Rings Closures7
Small Rings7
Aromatic Rings4
Aromatic Atoms23
Sp3Atoms6
Symmetricatoms5
Amides1
StereoConunknown chirality

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