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Structure
|
|
| Relationships |
Total Number of functionally related protein(s) :
5
Total Number of Articles : 11
|
| PubChem |
25134326
|
| Molecular Formula |
C29H40N8O3S |
| SMILES |
CC(C)S(=O)(=O)C1=CC=CC=C1NC2=NC(=NC=N2)NC3=C(C=C(C=C3)N4CCC(CC4)N5CCN(CC5)C)OC |
| InChI |
InChI=1S/C29H40N8O3S/c1-21(2)41(38,39)27-8-6-5-7-25(27)33-29-31-20-30-28(34-29)32-24-10-9-23(19-26(24)40-4)36-13-11-22(12-14-36)37-17-15-35(3)16-18-37/h5-10,19-22H,11-18H2,1-4H3,(H2,30,31,32,33,34) |
| synonyms |
- ASP3026
- 1097917-15-1
- ASP-3026
- ASP 3026
- N2-[2-Methoxy-4-[4-(4-methyl-1-piperazinyl)-1-piperidinyl]phenyl]-N4-[2-[(1-methylethyl)sulfonyl]phenyl]-1,3,5-triazine-2,4-diamine
- UNII-HP4L6MXF10
- HP4L6MXF10
- 2-N-[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]-4-N-(2-propan-2-ylsulfonylphenyl)-1,3,5-triazine-2,4-diamine
- N2-(2-(isopropylsulfonyl)phenyl)-N4-(2-methoxy-4-(4-(4-methylpiperazin-1-yl)piperidin-1-yl)phenyl)-1,3,5-triazine-2,4-diamine
- N4-[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]-N2-(2-propan-2-ylsulfonylphenyl)-1,3,5-triazine-2,4-diamine
- MGGBYMDAPCCKCT-UHFFFAOYSA-N
- F6O
- N-(2-METHOXY-4-(4-(4-METHYLPIPERAZIN-1-YL)PIPERIDIN-1-YL)PHENYL)-N'-(2-(PROPAN-2-YLSULFONYL)PHENYL)-1,3,5-TRIAZINE-2,4-DIAMINE
- N-{2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl}-N'-[2-(propan-2-ylsulfonyl)phenyl]-1,3,5-triazine-2,4-diamine
- MLS006011176
- GTPL7740
- SCHEMBL2827739
- CHEMBL3545360
- DTXSID90149038
- EX-A140
- ASP 3026 [WHO-DD]
- CHEBI:167650
- HMS3673C17
- ASP3026?
- BCP06436
- XTB91715
- MFCD21609265
- NSC765865
- NSC799336
- s8054
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| Properties |
| Property |
Value |
| MW |
580.7 g/mol |
| HBD |
2 |
| HBA |
11 |
| Rotatable Bond Count |
9 |
| Exact Mass |
580.29440834 g/mol |
| Monoisotopic Mass |
580.29440834 g/mol |
| Heavy Atom Count |
41 |
| Isotope Atom Count |
0 |
| Atom Stereo Count |
0 |
| Covalent Unit Count |
1 |
| Complexity |
904 |
| xlogp |
4.8 |
| Topological Polar Surface Area |
124 |
|