| Drug Name |
US8592431, 185
|
| Synonyms |
SCHEMBL1373214; SCHEMBL1373217; CHEMBL3648565; IFFXJMQHLNIFIO-YHBQERECSA-N; BDBM107377; US8592431, 185; 4-[trans-4-(1,3-oxazol-5-yl)cyclohexyl]-7-propyl-6-{[2'-(1H-tetrazol-5-yl)biphenyl-4-yl]methyl}[1,2,4]triazolo[1,5-a]pyrimidin-5(4H)-one
|
| Drug Type |
Small molecular drug
|
| Structure |
|
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3D MOL
|
2D MOL
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| #Ro5 Violations (Lipinski): 2 |
Molecular Weight (mw) |
561.6 |
|
| Logarithm of the Partition Coefficient (xlogp) |
5.1 |
| Rotatable Bond Count (rotbonds) |
8 |
| Hydrogen Bond Donor Count (hbonddonor) |
1 |
| Hydrogen Bond Acceptor Count (hbondacc) |
8 |
| Chemical Identifiers |
- Formula
- C31H31N9O2
- IUPAC Name
4-[4-(1,3-oxazol-5-yl)cyclohexyl]-7-propyl-6-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-5-one - Canonical SMILES
-
CCCC1=C(C(=O)N(C2=NC=NN12)C3CCC(CC3)C4=CN=CO4)CC5=CC=C(C=C5)C6=CC=CC=C6C7=NNN=N7
- InChI
-
InChI=1S/C31H31N9O2/c1-2-5-27-26(16-20-8-10-21(11-9-20)24-6-3-4-7-25(24)29-35-37-38-36-29)30(41)39(31-33-18-34-40(27)31)23-14-12-22(13-15-23)28-17-32-19-42-28/h3-4,6-11,17-19,22-23H,2,5,12-16H2,1H3,(H,35,36,37,38)
- InChIKey
-
IFFXJMQHLNIFIO-UHFFFAOYSA-N
|
| Cross-matching ID |
- PubChem CID
- 59437597
- TTD ID
- D0Z5GO
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