Drug Name |
US9475795, 19
|
Synonyms |
CHEMBL3891428; SCHEMBL15549092; UOPFZPMEKNDBSU-UHFFFAOYSA-N; BDBM250540; US9475795, 19; 4-Phenoxy-1-[(1,3,5-trimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine |
Drug Type |
Small molecular drug
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Structure |
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3D MOL
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2D MOL
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#Ro5 Violations (Lipinski): 0 |
Molecular Weight (mw) |
349.4 |
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Logarithm of the Partition Coefficient (xlogp) |
2.4 |
Rotatable Bond Count (rotbonds) |
4 |
Hydrogen Bond Donor Count (hbonddonor) |
0 |
Hydrogen Bond Acceptor Count (hbondacc) |
5 |
Chemical Identifiers |
- Formula
- C17H23N3O3S
- IUPAC Name
4-phenoxy-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine
- Canonical SMILES
-
CC1=C(C(=NN1C)C)S(=O)(=O)N2CCC(CC2)OC3=CC=CC=C3
- InChI
-
InChI=1S/C17H23N3O3S/c1-13-17(14(2)19(3)18-13)24(21,22)20-11-9-16(10-12-20)23-15-7-5-4-6-8-15/h4-8,16H,9-12H2,1-3H3
- InChIKey
-
UOPFZPMEKNDBSU-UHFFFAOYSA-N
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Cross-matching ID |
- PubChem CID
- 72549319
- TTD ID
- D0X1ZY
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