| Drug Name |
BC11-28
|
| Synonyms |
BDBM86641; 7-(4-fluorophenyl)-N-(2-methylphenyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine; AC1MM8WN; Oprea1_524381; CHEMBL2132713; SCHEMBL14998917; BDBM60812; HMS1911I05; ZINC2713985; STK859438; AKOS002104616; MCULE-7713625102; BC11-28; NCGC00138975-01; ST50069829; EU-0095146; US9173884, BC11-28; SR-01000567887; SR-01000567887-1; K405-0344; 7-(4-fluorophenyl)-N-(2-methylphenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine; [7-(4-fluorophenyl)-5-phenylpyrrolo[3,2-e]pyrimidin-4-yl](2-methylphenyl)amine
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| Drug Type |
Small molecular drug
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| Structure |
|
 |
|
3D MOL
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2D MOL
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| #Ro5 Violations (Lipinski): 1 |
Molecular Weight (mw) |
394.4 |
|
| Logarithm of the Partition Coefficient (xlogp) |
6.2 |
| Rotatable Bond Count (rotbonds) |
4 |
| Hydrogen Bond Donor Count (hbonddonor) |
1 |
| Hydrogen Bond Acceptor Count (hbondacc) |
4 |
| Chemical Identifiers |
- Formula
- C25H19FN4
- IUPAC Name
7-(4-fluorophenyl)-N-(2-methylphenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine - Canonical SMILES
-
CC1=CC=CC=C1NC2=C3C(=CN(C3=NC=N2)C4=CC=C(C=C4)F)C5=CC=CC=C5
- InChI
-
InChI=1S/C25H19FN4/c1-17-7-5-6-10-22(17)29-24-23-21(18-8-3-2-4-9-18)15-30(25(23)28-16-27-24)20-13-11-19(26)12-14-20/h2-16H,1H3,(H,27,28,29)
- InChIKey
-
KCNWFXKVXRZIGO-UHFFFAOYSA-N
|
| Cross-matching ID |
- PubChem CID
- 3257208
- TTD ID
- D0SH7F
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