| Drug Name |
US9617250, Example 1 Example 204 of D1
|
| Synonyms |
CHEMBL3124957; BDBM50165434; SCHEMBL3214485; BDBM317453; US9617250, Example 1 Example 204 of D1 |
| Drug Type |
Small molecular drug
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| Structure |
|
 |
|
3D MOL
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2D MOL
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| #Ro5 Violations (Lipinski): 1 |
Molecular Weight (mw) |
496.6 |
|
| Logarithm of the Partition Coefficient (xlogp) |
3.8 |
| Rotatable Bond Count (rotbonds) |
12 |
| Hydrogen Bond Donor Count (hbonddonor) |
3 |
| Hydrogen Bond Acceptor Count (hbondacc) |
8 |
| Chemical Identifiers |
- Formula
- C27H36N4O5
- IUPAC Name
N-[(2S)-3-[2-ethyl-6-methyl-4-[5-(2-methyl-6-pentan-3-ylpyridin-4-yl)-1,2,4-oxadiazol-3-yl]phenoxy]-2-hydroxypropyl]-2-hydroxyacetamide - Canonical SMILES
-
CCC1=C(C(=CC(=C1)C2=NOC(=N2)C3=CC(=NC(=C3)C)C(CC)CC)C)OC[C@H](CNC(=O)CO)O
- InChI
-
InChI=1S/C27H36N4O5/c1-6-18(7-2)23-12-21(10-17(5)29-23)27-30-26(31-36-27)20-9-16(4)25(19(8-3)11-20)35-15-22(33)13-28-24(34)14-32/h9-12,18,22,32-33H,6-8,13-15H2,1-5H3,(H,28,34)/t22-/m0/s1
- InChIKey
-
CHIUPZSZKBJIHD-QFIPXVFZSA-N
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| Cross-matching ID |
- PubChem CID
- 25031140
- TTD ID
- D04NEO
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