| Drug Name |
US9475795, 89
|
| Synonyms |
CHEMBL3889563; SCHEMBL15549096; JDTHPTFPMSSAJL-UHFFFAOYSA-N; BDBM250610; US9475795, 89; 4-(4-Chloro-2-methoxybenzyl)-1-((3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl)piperidin-4-ol |
| Drug Type |
Small molecular drug
|
| Structure |
|
 |
|
3D MOL
|
2D MOL
|
| #Ro5 Violations (Lipinski): 0 |
Molecular Weight (mw) |
413.9 |
|
| Logarithm of the Partition Coefficient (xlogp) |
2.4 |
| Rotatable Bond Count (rotbonds) |
5 |
| Hydrogen Bond Donor Count (hbonddonor) |
2 |
| Hydrogen Bond Acceptor Count (hbondacc) |
6 |
| Chemical Identifiers |
- Formula
- C18H24ClN3O4S
- IUPAC Name
4-[(4-chloro-2-methoxyphenyl)methyl]-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-ol - Canonical SMILES
-
CC1=C(C(=NN1)C)S(=O)(=O)N2CCC(CC2)(CC3=C(C=C(C=C3)Cl)OC)O
- InChI
-
InChI=1S/C18H24ClN3O4S/c1-12-17(13(2)21-20-12)27(24,25)22-8-6-18(23,7-9-22)11-14-4-5-15(19)10-16(14)26-3/h4-5,10,23H,6-9,11H2,1-3H3,(H,20,21)
- InChIKey
-
JDTHPTFPMSSAJL-UHFFFAOYSA-N
|
| Cross-matching ID |
- PubChem CID
- 72551112
- TTD ID
- D0U5VO
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