Gs-39783
PubChem CID: 6604928
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| Compound Synonyms | 39069-52-8, GS 39783, GS39783, N4,N6-dicyclopentyl-2-(methylthio)-5-nitropyrimidine-4,6-diamine, GS-39783, HD3T22A5DM, 4-N,6-N-dicyclopentyl-2-methylsulfanyl-5-nitropyrimidine-4,6-diamine, DTXSID30424992, N4,N6-Dicyclopentyl-2-(methylthio)-5-nitro-4,6-pyrimidinediamine, N,N'-Dicyclopentyl-2-(methylthio)-5-nitro-4,6-pyrimidinediamine, N,N'-Dicyclopentyl-2-methylsulfanyl-5-nitro-pyrimidine-4,6-diamine, 4,6-Pyrimidinediamine, N4,N6-dicyclopentyl-2-(methylthio)-5-nitro-, 4-N,6-N-dicyclopentyl-2-(methylsulfanyl)-5-nitropyrimidine-4,6-diamine, N~4~,N~6~-dicyclopentyl-2-(methylsulfanyl)-5-nitropyrimidine-4,6-diamine, GS 39783-d8, Pseudoephedrine,(+), NCGC00025340-01, Tocris-2001, N,N'-Dicyclopentyl-2-(methylthio)-5- nitro-4,6-pyrimidinediamine, UNII-HD3T22A5DM, CHEMBL392394, GTPL5446, SCHEMBL3578392, BDBM86283, CHEBI:93326, DTXCID00375826, GLXC-02598, HMS3268D17, HMS3413A11, HMS3677A11, PBA06952, PDSP1_000401, PDSP2_000399, AKOS024456904, AKOS040745200, SB58749, NCGC00025340-02, AS-86998, CAS_345-78-8, DA-73880, CAS_39069-52-8, HY-103475, GS39783, >=98% (HPLC), SR-01000597525, Q5514522, SR-01000597525-1, BRD-K75478907-001-01-5, BRD-K75478907-001-02-3, 636-794-6, QDA |
|---|---|
| Topological Polar Surface Area | 121.0 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 23.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 368.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | O75899, Q03164, Q9NUW8, P33261, P15917, P11712, P05177, O94782, Q9UBS5, n.a., P0DTD1 |
| Iupac Name | 4-N,6-N-dicyclopentyl-2-methylsulfanyl-5-nitropyrimidine-4,6-diamine |
| Prediction Hob | 1.0 |
| Target Id | NPT50, NPT213, NPT212, NPT208, NPT1407 |
| Xlogp | 5.2 |
| Molecular Formula | C15H23N5O2S |
| Prediction Swissadme | 0.0 |
| Inchi Key | GSGVDKOCBKBMGG-UHFFFAOYSA-N |
| Fcsp3 | 0.7333333333333333 |
| Logs | -4.165 |
| Rotatable Bond Count | 5.0 |
| Logd | 3.824 |
| Compound Name | Gs-39783 |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 337.157 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 337.157 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 337.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.989327278260871 |
| Inchi | InChI=1S/C15H23N5O2S/c1-23-15-18-13(16-10-6-2-3-7-10)12(20(21)22)14(19-15)17-11-8-4-5-9-11/h10-11H,2-9H2,1H3,(H2,16,17,18,19) |
| Smiles | CSC1=NC(=C(C(=N1)NC2CCCC2)[N+](=O)[O-])NC3CCCC3 |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Ephedra Equisetina (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Ephedra Intermedia (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Ephedra Sinica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all