| Drug Name |
US10065972, Example 396
|
| Synonyms |
SCHEMBL18335771; BDBM273125; US10065972, Example 396; (R)-N-benzyl-1-[6-(2-hydroxyethyl)-7-oxo-5-trifluoromethyl-6,7-dihydro[1,3]thiazolo[5,4-d]pyrimidin-2-yl]pyrrolidine-2-carboxamide |
| 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) |
467.5 |
|
| Logarithm of the Partition Coefficient (xlogp) |
2.8 |
| Rotatable Bond Count (rotbonds) |
6 |
| Hydrogen Bond Donor Count (hbonddonor) |
2 |
| Hydrogen Bond Acceptor Count (hbondacc) |
10 |
| Chemical Identifiers |
- Formula
- C20H20F3N5O3S
- IUPAC Name
(2R)-N-benzyl-1-[6-(2-hydroxyethyl)-7-oxo-5-(trifluoromethyl)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]pyrrolidine-2-carboxamide - Canonical SMILES
-
C1C[C@@H](N(C1)C2=NC3=C(S2)N=C(N(C3=O)CCO)C(F)(F)F)C(=O)NCC4=CC=CC=C4
- InChI
-
InChI=1S/C20H20F3N5O3S/c21-20(22,23)18-26-16-14(17(31)28(18)9-10-29)25-19(32-16)27-8-4-7-13(27)15(30)24-11-12-5-2-1-3-6-12/h1-3,5-6,13,29H,4,7-11H2,(H,24,30)/t13-/m1/s1
- InChIKey
-
SXQHHSSAGQUGBT-CYBMUJFWSA-N
|
| Cross-matching ID |
- PubChem CID
- 124152697
- TTD ID
- D0QE9Q
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