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8-morpholin-4-yl-N-[[(2R)-oxolan-2-yl]methyl]-11-thia-9,14,15,16-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12(17),13,15-hexaen-13-amine

Formula:C21H26N6O2S Mutagenic:none Tumorigenic:none Reproductive Effective:none 8-morpholin-4-yl-N-[[(2R)-oxolan-2-yl]methyl]-11-thia-9,14,15,16-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12(17),13,15-hexaen-13-amine is a drug-like molecule.
MolName8-morpholin-4-yl-N-[[(2R)-oxolan-2-yl]methyl]-11-thia-9,14,15,16-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12(17),13,15-hexaen-13-amine
MolecularFormulaC21H26N6O2S
SmilesC([C@@H]1OCCC1)Nc1c2sc3nc(N4CCOCC4)c(CCCC4)c4c3c2nnn1
InChIInChI=1S/C21H26N6O2S/c1-2-6-15-14(5-1)16-17-18(19(25-26-24-17)22-12-13-4-3-9-29-13)30-21(16)23-20(15)27-7-10-28-11-8-27/h13H,1-12H2,(H,22,24,25)/t13-/m1/s1
InChIKGYKZRVSVHMRZFB-CYBMUJFWSA-N
TotalMolweight426.543
Molweight426.543
MonoisotopicMass426.183794
CLogP2.1624
CLogS-5.754
H Acceptors8
H Donors1
TotalSurfaceArea312.32
Relative PSA0.31778
PolarSurfaceArea113.53
Druglikeness-3.5917
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functions
Shape Index0.5
Fragments1
Non HAtoms30
NonCHAtoms9
Electronegative Atoms9
StereoCenters1
Rotatable Bond4
Rings Closures6
Small Rings6
Aromatic Rings3
Aromatic Atoms13
Sp3Atoms16
Symmetricatoms2
Aromatic Nitrogens4
BasicNitrogens1
StereoConthis enantiomer

Request More Details | 8-morpholin-4-yl-N-[[(2R)-oxolan-2-yl]methyl]-11-thia-9,14,15,16-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12(17),13,15-hexaen-13-amine


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