C34H30N6O | Cheminformatics
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(17R)-N-(3,5-dimethylphenyl)-17-(2-methoxyphenyl)-15-methyl-13-phenyl-1,8,11,13,14-pentazatetracyclo[8.7.0.02,7.012,16]heptadeca-2,4,6,8,10,12(16),14-heptaen-9-amine

Formula:C34H30N6O Mutagenic:none Tumorigenic:none Reproductive Effective:none (17R)-N-(3,5-dimethylphenyl)-17-(2-methoxyphenyl)-15-methyl-13-phenyl-1,8,11,13,14-pentazatetracyclo[8.7.0.02,7.012,16]heptadeca-2,4,6,8,10,12(16),14-heptaen-9-amine is not a drug-like molecule.
MolName(17R)-N-(3,5-dimethylphenyl)-17-(2-methoxyphenyl)-15-methyl-13-phenyl-1,8,11,13,14-pentazatetracyclo[8.7.0.02,7.012,16]heptadeca-2,4,6,8,10,12(16),14-heptaen-9-amine
MolecularFormulaC34H30N6O
SmilesCc(c([C@@H]1c(cccc2)c2OC)c2N=C3N1c(cccc1)c1N=C3Nc1cc(C)cc(C)c1)nn2-c1ccccc1
InChIInChI=1S/C34H30N6O/c1-21-18-22(2)20-24(19-21)35-32-34-37-33-30(23(3)38-40(33)25-12-6-5-7-13-25)31(26-14-8-11-17-29(26)41-4)39(34)28-16-10-9-15-27(28)36-32/h5-20,31H,1-4H3,(H,35,36)/t31-/m0/s1
InChIKZCKRDWBXQNBUPC-HKBQPEDESA-N
TotalMolweight538.653
Molweight538.653
MonoisotopicMass538.248109
CLogP5.0994
CLogS-7.089
H Acceptors7
H Donors1
TotalSurfaceArea412.5
Relative PSA0.15968
PolarSurfaceArea67.04
Druglikeness3.8955
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functions
Shape Index0.34146
Fragments1
Non HAtoms41
NonCHAtoms7
Electronegative Atoms7
StereoCenters1
Rotatable Bond4
Rings Closures7
Small Rings7
Aromatic Rings5
Aromatic Atoms29
Sp3Atoms6
Symmetricatoms5
Aromatic Nitrogens2
StereoConthis enantiomer

Request More Details | (17R)-N-(3,5-dimethylphenyl)-17-(2-methoxyphenyl)-15-methyl-13-phenyl-1,8,11,13,14-pentazatetracyclo[8.7.0.02,7.012,16]heptadeca-2,4,6,8,10,12(16),14-heptaen-9-amine


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