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2-N-[(Z)-[4-[(Z)-[[4-(3-bromoanilino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]hydrazinylidene]methyl]phenyl]methylideneamino]-4-N-(3-bromophenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine

Formula:C34H34N14O2Br2 Mutagenic:high Tumorigenic:none Reproductive Effective:none 2-N-[(Z)-[4-[(Z)-[[4-(3-bromoanilino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]hydrazinylidene]methyl]phenyl]methylideneamino]-4-N-(3-bromophenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine is not a drug-like molecule.
MolName2-N-[(Z)-[4-[(Z)-[[4-(3-bromoanilino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]hydrazinylidene]methyl]phenyl]methylideneamino]-4-N-(3-bromophenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
MolecularFormulaC34H34N14O2Br2
SmilesBrc1cccc(Nc2nc(N/N=C\c3ccc(/C=N\Nc4nc(Nc5cccc(Br)c5)nc(N5CCOCC5)n4)cc3)nc(N3CCOCC3)n2)c1
InChIInChI=1S/C34H34Br2N14O2/c35-25-3-1-5-27(19-25)39-29-41-31(45-33(43-29)49-11-15-51-16-12-49)47-37-21-23-7-9-24(10-8-23)22-38-48-32-42-30(40-28-6-2-4-26(36)20-28)44-34(46-32)50-13-17-52-18-14-50/h1-10,19-22H,11-18H2,(H2,39,41,43,45,47)(H2,40,42,44,46,48)
InChIKHKNWLANFYZJICU-UHFFFAOYSA-N
TotalMolweight830.548
Molweight830.548
MonoisotopicMass828.135588
CLogP10.715
CLogS-10.084
H Acceptors16
H Donors4
TotalSurfaceArea561.16
Relative PSA0.2883
PolarSurfaceArea175.12
Druglikeness1.6359
Mutagenichigh
Tumorigenicnone
Reproductive Effectivenone
Irritanthigh
Nasty Functionsimine/hydrazone of aldehyde
Shape Index0.5
Fragments1
Non HAtoms52
NonCHAtoms18
Electronegative Atoms18
Rotatable Bond12
Rings Closures7
Small Rings7
Aromatic Rings5
Aromatic Atoms30
Sp3Atoms10
Symmetricatoms29
Aromatic Nitrogens6
BasicNitrogens6
StereoCon

Request More Details | 2-N-[(Z)-[4-[(Z)-[[4-(3-bromoanilino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]hydrazinylidene]methyl]phenyl]methylideneamino]-4-N-(3-bromophenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine


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