| Drug Name |
US9073936, 1
|
| Synonyms |
SCHEMBL16036074; CHEMBL3678504; RKEUHNQOPBPRQD-UHFFFAOYSA-N; BDBM168126; US9073936, 1; 7,8-Dihydro-2-(4-acetylbenzyl)-3-(4-fluorophenylamino)-5,7,7-trimethyl-[2H]-imidazo-[1,2-a]pyrazolo[4,3-e]pyrimidin-4(5H)-one
|
| Drug Type |
Small molecular drug
|
| Structure |
|
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|
3D MOL
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2D MOL
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| #Ro5 Violations (Lipinski): 0 |
Molecular Weight (mw) |
460.5 |
|
| Logarithm of the Partition Coefficient (xlogp) |
3.5 |
| Rotatable Bond Count (rotbonds) |
5 |
| Hydrogen Bond Donor Count (hbonddonor) |
1 |
| Hydrogen Bond Acceptor Count (hbondacc) |
6 |
| Chemical Identifiers |
- Formula
- C25H25FN6O2
- IUPAC Name
4-[(4-acetylphenyl)methyl]-5-(4-fluoroanilino)-8,11,11-trimethyl-1,3,4,8,10-pentazatricyclo[7.3.0.02,6]dodeca-2,5,9-trien-7-one - Canonical SMILES
-
CC(=O)C1=CC=C(C=C1)CN2C(=C3C(=N2)N4CC(N=C4N(C3=O)C)(C)C)NC5=CC=C(C=C5)F
- InChI
-
InChI=1S/C25H25FN6O2/c1-15(33)17-7-5-16(6-8-17)13-32-21(27-19-11-9-18(26)10-12-19)20-22(29-32)31-14-25(2,3)28-24(31)30(4)23(20)34/h5-12,27H,13-14H2,1-4H3
- InChIKey
-
RKEUHNQOPBPRQD-UHFFFAOYSA-N
|
| Cross-matching ID |
- PubChem CID
- 90409046
- TTD ID
- D0E9JC
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