| Drug Name |
QCPOIDRINIAUKU-SRBBEKPSSA-N
|
| Synonyms |
((1R,2R,3S,4R)-2,3-dihydroxy-4-([2-(1-naphthyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino)cyclopentyl)methyl sulfamate; ((1R,2R,3S,4R)-2,3-dihydroxy-4-{[2-(1-naphthyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino}cyclopentyl)methyl sulfamate; SCHEMBL15192059; QCPOIDRINIAUKU-SRBBEKPSSA-N
|
| Drug Type |
Small molecular drug
|
| Structure |
|
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|
3D MOL
|
2D MOL
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| #Ro5 Violations (Lipinski): 0 |
Molecular Weight (mw) |
469.5 |
|
| Logarithm of the Partition Coefficient (xlogp) |
1.5 |
| Rotatable Bond Count (rotbonds) |
6 |
| Hydrogen Bond Donor Count (hbonddonor) |
4 |
| Hydrogen Bond Acceptor Count (hbondacc) |
9 |
| Chemical Identifiers |
- Formula
- C22H23N5O5S
- IUPAC Name
[(1R,2R,3S,4R)-2,3-dihydroxy-4-[(2-naphthalen-1-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]cyclopentyl]methyl sulfamate - Canonical SMILES
-
C1[C@@H]([C@H]([C@H]([C@@H]1NC2=CC=NC3=CC(=NN23)C4=CC=CC5=CC=CC=C54)O)O)COS(=O)(=O)N
- InChI
-
InChI=1S/C22H23N5O5S/c23-33(30,31)32-12-14-10-18(22(29)21(14)28)25-19-8-9-24-20-11-17(26-27(19)20)16-7-3-5-13-4-1-2-6-15(13)16/h1-9,11,14,18,21-22,25,28-29H,10,12H2,(H2,23,30,31)/t14-,18-,21-,22+/m1/s1
- InChIKey
-
QCPOIDRINIAUKU-SRBBEKPSSA-N
|
| Cross-matching ID |
- PubChem CID
- 71666343
- TTD ID
- D0YE0V
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