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HM03

CAT: 0127-BUP10900-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP10900-01Size:5 mg
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CAS Number
500565-15-1
Purity
=95%
Smiles
COc1ccc2nc3cc(Cl)ccc3c(Nc3ccc(O)c(CN4CCN(C)CC4)c3)c2c1

Chemical Information

4-((6-Chloro-2-methoxyacridin-9-yl)amino)-2-((4-methylpiperazin-1-yl)methyl)phenol
CAS Number500565-15-1
PubChem CID421105
IUPAC Name4-[(6-chloro-2-methoxyacridin-9-yl)amino]-2-[(4-methylpiperazin-1-yl)methyl]phenol
Molecular FormulaC26H27ClN4O2
Molecular Weight463.0
XLogP5
Topological Polar Surface Area60.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Heavy Atom Count33
Formal Charge0
Complexity633
SMILES
CN1CCN(CC1)CC2=C(C=CC(=C2)NC3=C4C=C(C=CC4=NC5=C3C=CC(=C5)Cl)OC)O
InChI
InChI=1S/C26H27ClN4O2/c1-30-9-11-31(12-10-30)16-17-13-19(4-8-25(17)32)28-26-21-6-3-18(27)14-24(21)29-23-7-5-20(33-2)15-22(23)26/h3-8,13-15,32H,9-12,16H2,1-2H3,(H,28,29)
InChIKey
SUSDGTMJKOGWSZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-((6-Chloro-2-methoxyacridin-9-yl)amino)-2-((4-methylpiperazin-1-yl)methyl)phenol
CAS: 500565-15-1
CID: 421105
Formula: C26H27ClN4O2
MW: 463.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight463.0
XLogP35
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Exact Mass462.1822538
Monoisotopic Mass462.1822538
Topological Polar Surface Area60.9 Ų
Heavy Atom Count33
Formal Charge0
Complexity633
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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