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5-chloro-2-[5-[(Z)-(3,8-dioxo-5,16-dithia-2,7-diazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),6,10(15)-trien-4-ylidene)methyl]furan-2-yl]benzoic acid

Formula:C24H15N2O5ClS2 Mutagenic:high Tumorigenic:high Reproductive Effective:high 5-chloro-2-[5-[(Z)-(3,8-dioxo-5,16-dithia-2,7-diazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),6,10(15)-trien-4-ylidene)methyl]furan-2-yl]benzoic acid is not a drug-like molecule.
MolName5-chloro-2-[5-[(Z)-(3,8-dioxo-5,16-dithia-2,7-diazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),6,10(15)-trien-4-ylidene)methyl]furan-2-yl]benzoic acid
MolecularFormulaC24H15N2O5ClS2
SmilesOC(c(cc(cc1)Cl)c1-c1ccc(/C=C(/C(N2c3c4c(CCCC5)c5s3)=O)\SC2=NC4=O)o1)=O
InChIInChI=1S/C24H15ClN2O5S2/c25-11-5-7-13(15(9-11)23(30)31)16-8-6-12(32-16)10-18-21(29)27-22-19(20(28)26-24(27)34-18)14-3-1-2-4-17(14)33-22/h5-10H,1-4H2,(H,30,31)
InChIKGMZMCGWDPXYCHY-UHFFFAOYSA-N
TotalMolweight510.977
Molweight510.977
MonoisotopicMass510.01109
CLogP5.1329
CLogS-8.515
H Acceptors7
H Donors1
TotalSurfaceArea343.44
Relative PSA0.34719
PolarSurfaceArea153.72
Druglikeness0.4578
Mutagenichigh
Tumorigenichigh
Reproductive Effectivehigh
Irritantnone
Nasty Functions
Shape Index0.5
Fragments1
Non HAtoms34
NonCHAtoms10
Electronegative Atoms10
Rotatable Bond3
Rings Closures6
Small Rings6
Aromatic Rings3
Aromatic Atoms16
Sp3Atoms6
Amides1
AcidicOxygens1
StereoCon

Request More Details | 5-chloro-2-[5-[(Z)-(3,8-dioxo-5,16-dithia-2,7-diazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),6,10(15)-trien-4-ylidene)methyl]furan-2-yl]benzoic acid


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