| Drug Name |
US9586942, 2
|
| Synonyms |
SCHEMBL16652919; OLRHCKCMIVFULU-FTJBHMTQSA-N; BDBM294228; BDBM294227; US9586942, 2; US9586942, 1; N-(1-((7S,8R)-7-(azetidin-1-yl)-8-benzyl-5,6,7,8-tetrahydronaphthalen-2-yl)azetidin-3-yl)-1-methyl-1H-imidazole-4-sulfonamide; N-(1-((7S,8R)-7-(azetidin-1-yl)-8-benzyl-5,6,7,8-tetrahydronaphthalen-2-yl)azetidin-3-yl)-1-methyl-1H-pyrazole-4-sulfonamide
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| 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) |
491.6 |
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| Logarithm of the Partition Coefficient (xlogp) |
3.6 |
| Rotatable Bond Count (rotbonds) |
7 |
| Hydrogen Bond Donor Count (hbonddonor) |
1 |
| Hydrogen Bond Acceptor Count (hbondacc) |
6 |
| Chemical Identifiers |
- Formula
- C27H33N5O2S
- IUPAC Name
N-[1-[(7S,8R)-7-(azetidin-1-yl)-8-benzyl-5,6,7,8-tetrahydronaphthalen-2-yl]azetidin-3-yl]-1-methylimidazole-4-sulfonamide - Canonical SMILES
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CN1C=C(N=C1)S(=O)(=O)NC2CN(C2)C3=CC4=C(CC[C@@H]([C@@H]4CC5=CC=CC=C5)N6CCC6)C=C3
- InChI
-
InChI=1S/C27H33N5O2S/c1-30-18-27(28-19-30)35(33,34)29-22-16-32(17-22)23-10-8-21-9-11-26(31-12-5-13-31)25(24(21)15-23)14-20-6-3-2-4-7-20/h2-4,6-8,10,15,18-19,22,25-26,29H,5,9,11-14,16-17H2,1H3/t25-,26+/m1/s1
- InChIKey
-
OLRHCKCMIVFULU-FTJBHMTQSA-N
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| Cross-matching ID |
- PubChem CID
- 91754447
- TTD ID
- D0A0ND
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