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2-[(7-cyclopropyl-10-thia-3,4,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaen-5-yl)sulfanyl]-N-[4-(dimethylamino)phenyl]acetamide

Formula:C24H26N6OS2 Mutagenic:high Tumorigenic:high Reproductive Effective:none 2-[(7-cyclopropyl-10-thia-3,4,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaen-5-yl)sulfanyl]-N-[4-(dimethylamino)phenyl]acetamide is a drug-like molecule.
MolName2-[(7-cyclopropyl-10-thia-3,4,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaen-5-yl)sulfanyl]-N-[4-(dimethylamino)phenyl]acetamide
MolecularFormulaC24H26N6OS2
SmilesCN(C)c(cc1)ccc1NC(CSc1nnc2n1c(C1CC1)nc1c2c(CCCC2)c2s1)=O
InChIInChI=1S/C24H26N6OS2/c1-29(2)16-11-9-15(10-12-16)25-19(31)13-32-24-28-27-22-20-17-5-3-4-6-18(17)33-23(20)26-21(30(22)24)14-7-8-14/h9-12,14H,3-8,13H2,1-2H3,(H,25,31)
InChIKHVXGXJYWLDWYAL-UHFFFAOYSA-N
TotalMolweight478.643
Molweight478.643
MonoisotopicMass478.160949
CLogP4.423
CLogS-8.091
H Acceptors7
H Donors1
TotalSurfaceArea348.43
Relative PSA0.3064
PolarSurfaceArea128.96
Druglikeness0.84955
Mutagenichigh
Tumorigenichigh
Reproductive Effectivenone
Irritantnone
Nasty Functions
Shape Index0.54545
Fragments1
Non HAtoms33
NonCHAtoms9
Electronegative Atoms9
Rotatable Bond6
Rings Closures6
Small Rings6
Aromatic Rings4
Aromatic Atoms18
Sp3Atoms11
Symmetricatoms4
Amides1
Amines1
Aromatic Amines1
Aromatic Nitrogens4
BasicNitrogens1
StereoCon

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