| Drug Name |
Benzoheterocyclic compound 1
|
| Synonyms |
PMID28594589-Compound-TABLE3c5 |
| Drug Type |
Small molecular drug
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| Structure |
|
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|
3D MOL
|
2D MOL
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| #Ro5 Violations (Lipinski): 1 |
Molecular Weight (mw) |
550.9 |
|
| Logarithm of the Partition Coefficient (xlogp) |
3.7 |
| Rotatable Bond Count (rotbonds) |
8 |
| Hydrogen Bond Donor Count (hbonddonor) |
4 |
| Hydrogen Bond Acceptor Count (hbondacc) |
9 |
| Chemical Identifiers |
- Formula
- C19H18BrClFN3O4S2
- IUPAC Name
N-[5-(4-bromo-2-chloroanilino)-4-fluoro-1,3-benzothiazol-6-yl]-1-(2,3-dihydroxypropyl)cyclopropane-1-sulfonamide - Canonical SMILES
-
C1CC1(CC(CO)O)S(=O)(=O)NC2=CC3=C(C(=C2NC4=C(C=C(C=C4)Br)Cl)F)N=CS3
- InChI
-
InChI=1S/C19H18BrClFN3O4S2/c20-10-1-2-13(12(21)5-10)24-17-14(6-15-18(16(17)22)23-9-30-15)25-31(28,29)19(3-4-19)7-11(27)8-26/h1-2,5-6,9,11,24-27H,3-4,7-8H2
- InChIKey
-
AITYBOUARXLEQK-UHFFFAOYSA-N
|
| Cross-matching ID |
- PubChem CID
- 71668126
- TTD ID
- D0A8KL
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