Common name
4-chloro-N-[(2R)-2-methylindolin-1-yl]benzamide
IUPAC name
4-chloro-N-[(2R)-2-methylindolin-1-yl]benzamide
SMILES
O=C(NN1C(Cc2c1cccc2)C)c3ccc(cc3)Cl
Common name
4-chloro-N-[(2R)-2-methylindolin-1-yl]benzamide
IUPAC name
4-chloro-N-[(2R)-2-methylindolin-1-yl]benzamide
SMILES
O=C(NN1C(Cc2c1cccc2)C)c3ccc(cc3)Cl
INCHI
InChI=1S/C16H15ClN2O/c1-11-10-13-4-2-3-5-15(13)19(11)18-16(20)12-6-8-14(17)9-7-12/h2-9,11H,10H2,1H3,(H,18,20)/t11-/m1/s1
FORMULA
C16H15ClN2O
Common name
4-chloro-N-[(2R)-2-methylindolin-1-yl]benzamide
IUPAC name
4-chloro-N-[(2R)-2-methylindolin-1-yl]benzamide
Molecular weight
286.756
clogP
2.943
clogS
-4.359
Frequency
0.0003
HBond Acceptor
2
HBond Donor
1
Total PolarSurface Area
32.34
Number of Rings
3
Rotatable Bond
2
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD00670 | Indapamide |
|
Antihypertensive Agents; Diuretics; Sodium Chloride Symporter Inhibitors; Cardiovascular System; Agents Acting on the Renin-Angiotensin System; Sulfonamides, Plain; Low-Ceiling Diuretics, Excl. Thiazides; CYP3A4 Inhibitors; | For the treatment of hypertension, alone or in combination with other antihypertensive drugs, as well as for the treatment of salt and fluid retention associated with congestive heart failure or edema from pregnancy (appropriate only in the management of edema of pathologic origin during pregnancy when clearly needed). Also used for the management of edema as a result of various causes. |
1 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3bl1_ligand_2_2.mol2 | 3bl1 | 1 | -8.05 | C(=O)(NN1[C@H](Cc2c1cccc2)C)c1ccc(cc1)Cl | 20 |
| 3bl1_ligand.mol2 | 3bl1 | 0.789116 | -8.59 | O=S(=O)(N)c1cc(ccc1Cl)C(=O)NN1[C@@H](C)Cc2c1cccc2 | 25 |
| 3bl1_ligand_1_2.mol2 | 3bl1 | 0.66129 | -6.12 | C(O)NN1[C@H](Cc2c1cccc2)C | 13 |
| 3h1x_ligand_1_2.mol2 | 3h1x | 0.565217 | -6.96 | c12c(cccc1)C[C@H](N2C(=O)c1ccc(cc1)Cl)C | 19 |
| 3bl1_ligand_frag_3.mol2 | 3bl1 | 0.508621 | -6.04 | N1[C@H](Cc2c1cccc2)C | 10 |
| 4zg7_ligand_1_0.mol2 | 4zg7 | 0.496296 | -7.47 | CN1c2c(c(ccc2C[C@H]1C)Cl)F | 13 |
| 5ccm_ligand_frag_0.mol2 | 5ccm | 0.496183 | -7.42 | Clc1cc2c(CC(=O)N2)cc1 | 11 |
| 4k2y_ligand_frag_0.mol2 | 4k2y | 0.496183 | -7.11 | c12c(ccc(Cl)c1)CC(=O)N2 | 11 |
| 4k2y_ligand.mol2 | 4k2y | 0.496183 | -7.11 | c12c(ccc(Cl)c2)CC(=O)N1 | 12 |
100 ,
11
