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BIX02565

CAT: 0926-LCC36727-03Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0926-LCC36727-03Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1311367-27-7
MDL Number
MFCD25976796
Smiles
C[C@@H]1CCNC (=O) C2=CC3=C (N12) C=C (C=C3) C (=O) NC4=NC5=CC=CC=C5N4CCCN (C) C
Molecular Formula
C26H30N6O2
Molecular Weight
458.6 g/mol
Controlled
No

Chemical Information

Bix 02565
CAS Number1311367-27-7
PubChem CID53246941
IUPAC Name(5R)-N-[1-[3-(dimethylamino)propyl]benzimidazol-2-yl]-5-methyl-1-oxo-2,3,4,5-tetrahydro-[1,4]diazepino[1,2-a]indole-8-carboxamide
Molecular FormulaC26H30N6O2
Molecular Weight458.6
XLogP3.1
Topological Polar Surface Area84.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Heavy Atom Count34
Formal Charge0
Complexity747
SMILES
C[C@@H]1CCNC(=O)C2=CC3=C(N12)C=C(C=C3)C(=O)NC4=NC5=CC=CC=C5N4CCCN(C)C
InChI
InChI=1S/C26H30N6O2/c1-17-11-12-27-25(34)23-15-18-9-10-19(16-22(18)32(17)23)24(33)29-26-28-20-7-4-5-8-21(20)31(26)14-6-13-30(2)3/h4-5,7-10,15-17H,6,11-14H2,1-3H3,(H,27,34)(H,28,29,33)/t17-/m1/s1
InChIKey
ZHMXXVNQAFCXKK-QGZVFWFLSA-N
Chemical Structure
2D Structure
2D structure of Bix 02565
CAS: 1311367-27-7
CID: 53246941
Formula: C26H30N6O2
MW: 458.6
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight458.6
XLogP33.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Exact Mass458.24302422
Monoisotopic Mass458.24302422
Topological Polar Surface Area84.2 Ų
Heavy Atom Count34
Formal Charge0
Complexity747
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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CatalogName
GW3612-10mgBIX02565

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