General Information of the Compound
Compound ID
CP0072314
Compound Name
ALTRETAMINE
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Synonyms
2,4, 6-Tris(dimethylamino)-1,3,5-triazine
2,4,6-Tris(dimethylami
2,4,6-Tris(dimethylamino)-1,3,5-triazine
2,4,6-Tris(dimethylamino-s-triazine
2-N,2-N,4-N,4-N,6-N,6-N-hexamethyl-1,3,5-triazine-2,4,6-triamine
A 8723
Altretamina
Altretamina [INN-Spanish]
Altretamine
Altretamine (USP/INN)
Altretamine Bellon Brand
Altretamine Chiesi Brand
Altretamine Wassermann Brand
Altretamine [USAN:INN:BAN]
Altretaminum
Altretaminum [INN-Latin]
Bellon Brand of Altretamine
Chiesi Brand of Altretamine
ENT 50852
HEXAMETHYLMELAMINE
HMM
HTM
HXM
Hemel
Hexalen
Hexalen (TN)
Hexalen, Altretamine
Hexastat
Hexinawas
KB-913
MGI Pharma Brand of Altretamine
N,N,N',N',N'',N''-hexamethyl-1,3,5-triazine-2,4,6-triamine
NC 195
No-s-triazine
N~2~,N~2~,N~4~,N~4~,N~6~,N~6~-Hexamethyl-1,3,5-triazine-2,4,6-triamine
Rhone Poulenc Rorer Brand of Altretamine
Rhone-Poulenc Rorer Brand of Altretamine
Wassermann Brand of Altretamine
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Structure
Formula
C9H18N6
Molecular Weight
210.285
Canonical SMILES
CN(C)c1nc(nc(n1)N(C)C)N(C)C
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InChI
InChI=1S/C9H18N6/c1-13(2)7-10-8(14(3)4)12-9(11-7)15(5)6/h1-6H3
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InChIKey
UUVWYPNAQBNQJQ-UHFFFAOYSA-N
CAS
645-05-6
Physicochemical Property
logP
0.0696
Rotatable Bonds
3
Heavy Atom Count
15
Polar Areas
48.39
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
6
Complexity
15

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

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PubChem ID
CID: 2123
SID: 12013384
ChEMBL ID
CHEMBL1455
DrugBank ID
DB00488
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound

Compound
Cell Line
Protein

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT01002, Cytochrome P450 1A2
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000023 BTI-Tn-5B1-4
 Cell Line Info 
Trichoplusia ni (Cabbage looper)  1
1
IC50 = 4000 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( Altretamine )
Drug Name Altretamine
Indication
Ovarian cancer
Approved