| Drug Name |
PMID25522065-Compound-22
|
| Drug Type |
Small molecular drug
|
| Structure |
|
 |
|
3D MOL
|
2D MOL
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| #Ro5 Violations (Lipinski): 0 |
Molecular Weight (mw) |
437.9 |
|
| Logarithm of the Partition Coefficient (xlogp) |
2.1 |
| Rotatable Bond Count (rotbonds) |
6 |
| Hydrogen Bond Donor Count (hbonddonor) |
1 |
| Hydrogen Bond Acceptor Count (hbondacc) |
6 |
| Chemical Identifiers |
- Formula
- C23H24ClN5O2
- IUPAC Name
4-[(5-chloropyridin-2-yl)methoxy]-1-[6-[(1S,5R)-1-methyl-5-(methylamino)-3-azabicyclo[3.1.0]hexan-3-yl]pyridin-3-yl]pyridin-2-one - Canonical SMILES
-
C[C@@]12C[C@@]1(CN(C2)C3=NC=C(C=C3)N4C=CC(=CC4=O)OCC5=NC=C(C=C5)Cl)NC
- InChI
-
InChI=1S/C23H24ClN5O2/c1-22-13-23(22,25-2)15-28(14-22)20-6-5-18(11-27-20)29-8-7-19(9-21(29)30)31-12-17-4-3-16(24)10-26-17/h3-11,25H,12-15H2,1-2H3/t22-,23-/m0/s1
- InChIKey
-
KROAARZZGJOXPL-GOTSBHOMSA-N
|
| Cross-matching ID |
- PubChem CID
- 49793263
- TTD ID
- D0TY8S
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