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Structure
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| Relationships |
Total Number of functionally related protein(s) :
57
Total Number of Articles : 93
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| PubChem |
151194
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| Molecular Formula |
C20H15ClN4 |
| SMILES |
C1=CC=C2C(=C1)C(=NN=C2NC3=CC=C(C=C3)Cl)CC4=CC=NC=C4 |
| InChI |
InChI=1S/C20H15ClN4/c21-15-5-7-16(8-6-15)23-20-18-4-2-1-3-17(18)19(24-25-20)13-14-9-11-22-12-10-14/h1-12H,13H2,(H,23,25) |
| synonyms |
- Vatalanib
- 212141-54-3
- Vatalanib base
- N-(4-chlorophenyl)-4-(pyridin-4-ylmethyl)phthalazin-1-amine
- Vatalanib free base
- PTK787
- Pynasunate
- Vatalinib
- CGP 79787
- CGP-79787
- Vatalanib (free base)
- ZK-232934
- 1-Phthalazinamine,N-(4-chlorophenyl)-4-(4-pyridinylmethyl)-
- ZK222584
- Ptk 787
- NVP-PTK787
- PTK/ZK
- CHEMBL101253
- DTXSID2046919
- CHEBI:90620
- Vatalanib (dihydrochloride)
- 5DX9U76296
- BAY-86-5127
- NCGC00181350-01
- N-(4-Chlorophenyl)-4-(4-pyridinylmethyl)-1-phthalazinamine
- K-222584
- DTXCID0026919
- PTK787 dihydrochloride;CGP-797870 dihydrochloride;ZK-222584 dihydrochloride
- CAS-212141-54-3
- SR-05000001457
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| Properties |
| Property |
Value |
| MW |
346.8 g/mol |
| HBD |
1 |
| HBA |
4 |
| Rotatable Bond Count |
4 |
| Exact Mass |
346.0985242 g/mol |
| Monoisotopic Mass |
346.0985242 g/mol |
| Heavy Atom Count |
25 |
| Isotope Atom Count |
0 |
| Atom Stereo Count |
0 |
| Covalent Unit Count |
1 |
| Complexity |
407 |
| xlogp |
4.5 |
| Topological Polar Surface Area |
50.7 |
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