Responsive image

Common name

1-isopropyl-2-vinyl-indole

IUPAC name

1-isopropyl-2-vinyl-indole

SMILES

n1(c(cc2c1cccc2)C=C)C(C)C

Common name

1-isopropyl-2-vinyl-indole

IUPAC name

1-isopropyl-2-vinyl-indole

SMILES

n1(c(cc2c1cccc2)C=C)C(C)C

INCHI

InChI=1S/C13H15N/c1-4-12-9-11-7-5-6-8-13(11)14(12)10(2)3/h4-10H,1H2,2-3H3

FORMULA

C13H15N

Responsive image

Common name

1-isopropyl-2-vinyl-indole

IUPAC name

1-isopropyl-2-vinyl-indole





Molecular weight

194.336

clogP

2.747

clogS

-2.734

Frequency

0.0003





HBond Acceptor

0

HBond Donor

1

Total Polar
Surface Area

4.44

Number of Rings

2

Rotatable Bond

2

Drug ID Common name Structure CAS Compound class Therapeutic area
FDBD00945 Fluvastatin Responsive image Anticholesteremic Agents; Hydroxymethylglutaryl-CoA Reductase Inhibitors; HMG CoA Reductase Inhibitors; Lipid Modifying Agents, Plain; Lipid Modifying Agents; Cardiovascular System; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP1A2 Inducers; 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; To be used as an adjunct to dietary therapy to prevent cardiovascular events. May be used as secondary prevention in patients with coronary heart disease (CHD) to reduce the risk of requiring coronary revascularization procedures, for reducing progression of coronary atherosclerosis in hypercholesterolemic patients with CHD, and for the treatment of primary hypercholesterolemia and mixed dyslidipidemia.
1 , 1
FRAGNAME PDBID SIMILIRITY XSCORE SMILE HAC
1svh_ligand_1_4.mol2 1svh 0.702703 -6.34 C=C[C@@H]1CCC[NH2+]CC1 9
2vuk_ligand_1_1.mol2 2vuk 0.676471 -8.20 C1CCC[C@H]2[C@H]3CCCC[C@H]3[N@H+]([C@@H]12)CC 15
1tow_ligand_2_2.mol2 1tow 0.676471 -8.13 CC[N@@H+]1[C@H]2CCCC[C@@H]2[C@@H]2[C@H]1CCCC2 15
1tow_ligand_1_2.mol2 1tow 0.676471 -7.89 [N@H+]1([C@H]2CCCC[C@@H]2[C@@H]2[C@H]1CCCC2)C 14
1tow_ligand_frag_3.mol2 1tow 0.676471 -7.81 [NH2+]1[C@H]2CCCC[C@@H]2[C@@H]2[C@H]1CCCC2 13
4us3_ligand_1_1.mol2 4us3 0.676471 -7.79 [C@@H]1(C[NH2+][C@H]2[C@H]1CCCC2)C 10
2pql_ligand_1_1.mol2 2pql 0.676471 -7.75 C[C@@H]1C[NH2+][C@@H]2[C@H]1CCCC2 10
4us4_ligand_1_1.mol2 4us4 0.676471 -7.73 C[C@H]1C[NH2+][C@H]2[C@@H]1CCCC2 10
4zim_ligand_frag_0.mol2 4zim 0.676471 -7.71 C1CC[C@@H]2[C@H](C1)[C@H]1[C@H](CCCC1)[NH2+]2 13
2vuk_ligand_frag_0.mol2 2vuk 0.676471 -7.70 C1CCC[C@H]2[C@H]3CCCC[C@H]3[NH2+][C@@H]12 13
490 , 50