| Drug Name |
Z90308237
|
| Synonyms |
SCHEMBL18352966; BDBM113300; ZINC12619607; AKOS034677493; MCULE-1271453362; US9695194, 16; Z90308237; 1000928-01-7; 5-(2-chlorophenyl)-6,11,14-trioxa-4-azatricyclo[8.4.0.0^{3,8}]tetradeca-1,3(8),4,9-tetraen-7-one
|
| Drug Type |
Small molecular drug
|
| Structure |
|
 |
|
3D MOL
|
2D MOL
|
| #Ro5 Violations (Lipinski): 0 |
Molecular Weight (mw) |
315.71 |
|
| Logarithm of the Partition Coefficient (xlogp) |
3.3 |
| Rotatable Bond Count (rotbonds) |
1 |
| Hydrogen Bond Donor Count (hbonddonor) |
0 |
| Hydrogen Bond Acceptor Count (hbondacc) |
5 |
| Chemical Identifiers |
- Formula
- C16H10ClNO4
- IUPAC Name
2-(2-chlorophenyl)-7,8-dihydro-[1,4]dioxino[2,3-g][3,1]benzoxazin-4-one - Canonical SMILES
-
C1COC2=C(O1)C=C3C(=C2)N=C(OC3=O)C4=CC=CC=C4Cl
- InChI
-
InChI=1S/C16H10ClNO4/c17-11-4-2-1-3-9(11)15-18-12-8-14-13(20-5-6-21-14)7-10(12)16(19)22-15/h1-4,7-8H,5-6H2
- InChIKey
-
RMEUFAVEIHZTRM-UHFFFAOYSA-N
|
| Cross-matching ID |
- PubChem CID
- 25400532
- TTD ID
- D05CJM
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