| Drug Name |
US10065972, Example 281
|
| Synonyms |
SCHEMBL18335781; BDBM273097; US10065972, Example 281; (R)-N-benzyl-1-(5-difluoromethyl-6-methyl-7-oxo-6,7-dihydro-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)pyrrolidine-2-carboxamide |
| Drug Type |
Small molecular drug
|
| Structure |
|
 |
|
3D MOL
|
2D MOL
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| #Ro5 Violations (Lipinski): 0 |
Molecular Weight (mw) |
419.5 |
|
| Logarithm of the Partition Coefficient (xlogp) |
3.2 |
| Rotatable Bond Count (rotbonds) |
5 |
| Hydrogen Bond Donor Count (hbonddonor) |
1 |
| Hydrogen Bond Acceptor Count (hbondacc) |
8 |
| Chemical Identifiers |
- Formula
- C19H19F2N5O2S
- IUPAC Name
(2R)-N-benzyl-1-[5-(difluoromethyl)-6-methyl-7-oxo-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]pyrrolidine-2-carboxamide - Canonical SMILES
-
CN1C(=O)C2=C(N=C1C(F)F)SC(=N2)N3CCC[C@@H]3C(=O)NCC4=CC=CC=C4
- InChI
-
InChI=1S/C19H19F2N5O2S/c1-25-15(14(20)21)24-17-13(18(25)28)23-19(29-17)26-9-5-8-12(26)16(27)22-10-11-6-3-2-4-7-11/h2-4,6-7,12,14H,5,8-10H2,1H3,(H,22,27)/t12-/m1/s1
- InChIKey
-
VIBFDLHDQBMSOA-GFCCVEGCSA-N
|
| Cross-matching ID |
- PubChem CID
- 124152707
- TTD ID
- D08ETC
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