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869304-55-2 | Eg5 Inhibitor V, trans-24
CAS No: 869304-55-2 Catalog No: AG004OE1 MDL No:
Product Description
Catalog Number:
AG004OE1
Chemical Name:
Eg5 Inhibitor V, trans-24
CAS Number:
869304-55-2
Molecular Formula:
C26H21N3O3
Molecular Weight:
423.4632
IUPAC Name:
(10R,15S)-13-benzyl-10-(3-hydroxyphenyl)-8,11,13-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6-tetraene-12,14-dione
InChI:
InChI=1S/C26H21N3O3/c30-18-10-6-9-17(13-18)24-23-20(19-11-4-5-12-21(19)27-23)14-22-25(31)28(26(32)29(22)24)15-16-7-2-1-3-8-16/h1-13,22,24,27,30H,14-15H2/t22-,24+/m0/s1
InChI Key:
UOKINRKWPYVMSZ-LADGPHEKSA-N
SMILES:
Oc1cccc(c1)[C@H]1N2C(=O)N(C(=O)[C@@H]2Cc2c1[nH]c1c2cccc1)Cc1ccccc1
Properties
Complexity:
738
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
423.158g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
423.472g/mol
Monoisotopic Mass:
423.158g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
76.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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