Responsive image

Common name

1-methyl-N,4-diphenyl-pyrrole-3-carboxamide

IUPAC name

1-methyl-N,4-diphenyl-pyrrole-3-carboxamide

SMILES

c1(ccccc1)NC(=O)c2cn(cc2c3ccccc3)C

Common name

1-methyl-N,4-diphenyl-pyrrole-3-carboxamide

IUPAC name

1-methyl-N,4-diphenyl-pyrrole-3-carboxamide

SMILES

c1(ccccc1)NC(=O)c2cn(cc2c3ccccc3)C

INCHI

InChI=1S/C18H16N2O/c1-20-12-16(14-8-4-2-5-9-14)17(13-20)18(21)19-15-10-6-3-7-11-15/h2-13H,1H3,(H,19,21)

FORMULA

C18H16N2O

Responsive image

Common name

1-methyl-N,4-diphenyl-pyrrole-3-carboxamide

IUPAC name

1-methyl-N,4-diphenyl-pyrrole-3-carboxamide





Molecular weight

281.372

clogP

2.727

clogS

-4.488

Frequency

0.0003





HBond Acceptor

1

HBond Donor

2

Total Polar
Surface Area

33.54

Number of Rings

3

Rotatable Bond

3

Drug ID Common name Structure CAS Compound class Therapeutic area
FDBD00927 Atorvastatin Responsive image Anticholesteremic Agents; Hydroxymethylglutaryl-CoA Reductase Inhibitors; Dipeptidyl-Peptidase IV Inhibitors; HMG CoA Reductase Inhibitors; Lipid Modifying Agents, Plain; Lipid Modifying Agents; Cardiovascular System; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 CYP2C9 Inducers; Cytochrome P-450 CYP2C19 Inducers; Cytochrome P-450 CYP2C8 Inducers; Cytochrome P-450 CYP2B6 Inducers; Cytochrome P-450 CYP2B6 Inhibitors; CYP2B6 Inhibitors (strong); CYP2D6 Inducers; CYP2D6 Inducers (strong); CYP3A4 Inhibitors; Combined Inhibitors of CYP3A4 and P-glycoprotein;
1 , 1
FRAGNAME PDBID SIMILIRITY XSCORE SMILE HAC
3cct_ligand_3_35.mol2 3cct 0.886364 -7.15 c1cccc(c1)[C@H]1C[N@@H+](C)C[C@@H]1C(=O)Nc1ccccc1O 22
3cct_ligand_2_7.mol2 3cct 0.74359 -6.50 c1cccc(c1)[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N 15
3cct_ligand_3_19.mol2 3cct 0.734177 -6.74 c1cccc(c1)[C@H]1C[N@@H+](CC)C[C@@H]1C(=O)N 16
4lwu_ligand_frag_0.mol2 4lwu 0.684685 -7.31 N1c2cc(Cl)ccc2[C@@]2(C1=O)C[NH2+]CC2 15
4lwu_ligand_1_0.mol2 4lwu 0.666667 -7.57 N1c2cc(Cl)ccc2[C@@]2(C1=O)[C@@H]([NH2+]CC2)C 16
3cct_ligand_3_13.mol2 3cct 0.659091 -7.30 c1cccc(c1)[C@H]1C[N@@H+](C)[C@@H](C(C)C)[C@@H]1C(=O)N 18
103 , 11