Responsive image

Common name

9-[ethyl(dimethyl)-λ4-azanyl]-9H-fluorene

IUPAC name

9-[ethyl(dimethyl)-λ4-azanyl]-9H-fluorene

SMILES

C1(c2c(cccc2)-c3c1cccc3)[N](C)(C)CC

Common name

9-[ethyl(dimethyl)-λ4-azanyl]-9H-fluorene

IUPAC name

9-[ethyl(dimethyl)-λ4-azanyl]-9H-fluorene

SMILES

C1(c2c(cccc2)-c3c1cccc3)[N](C)(C)CC

INCHI

InChI=1S/C17H20N/c1-4-18(2,3)17-15-11-7-5-9-13(15)14-10-6-8-12-16(14)17/h5-12,17H,4H2,1-3H3

FORMULA

C17H20N

Responsive image

Common name

9-[ethyl(dimethyl)-λ4-azanyl]-9H-fluorene

IUPAC name

9-[ethyl(dimethyl)-λ4-azanyl]-9H-fluorene





Molecular weight

238.347

clogP

1.124

clogS

-5.373

Frequency

0.0003





HBond Acceptor

0

HBond Donor

0

Total Polar
Surface Area

0

Number of Rings

3

Rotatable Bond

2

Drug ID Common name Structure CAS Compound class Therapeutic area
FDBD00796 Hexafluronium Responsive image Neuromuscular Agents; Musculo-Skeletal System; Muscle Relaxants; Muscle Relaxants, Peripherally Acting Agents; Used as an adjunct with succinylcholine (or suxamethonium chloride) to prolong muscle relaxation and to prevent succinylcholine-induced muscle fasciculations.
1 , 1
FRAGNAME PDBID SIMILIRITY XSCORE SMILE HAC
2yki_ligand_1_1.mol2 2yki 0.84058 -8.68 c1cccc2C(c3c(c12)cccc3)NC=O 16
2ykc_ligand_1_0.mol2 2ykc 0.84058 -8.62 c1ccc2c(c1)c1c(C2NC=O)cccc1 16
2ykb_ligand_1_0.mol2 2ykb 0.84058 -8.59 c1ccc2c(c1)c1c(C2NC=O)cccc1 16
2ykj_ligand_1_1.mol2 2ykj 0.84058 -8.58 N(C=O)C1c2ccccc2c2c1cccc2 16
1qiw_ligand_3_515.mol2 1qiw 0.5 -6.51 CC[NH2+][C@H](C)c1ccccc1 11
2cgu_ligand_1_2.mol2 2cgu 0.488636 -8.23 Oc1cc2c(c3c(cccc3)/C/2=N/O)cc1 16
3ccb_ligand.mol2 3ccb 0.483871 -7.51 [NH3+]Cc1ccccc1c1ccccc1 15
4rlk_ligand.mol2 4rlk 0.477778 -10.09 O=C(O)c1ccc(/C=N/N=C2c3ccccc3c3ccccc23)cc1 26
4rll_ligand.mol2 4rll 0.477778 -9.38 O=C(O)c1ccc(/C=N/N=C2c3ccccc3c3ccccc23)cc1 26
2woa_ligand.mol2 2woa 0.47191 -9.10 O[C@H](CC(=O)O)CCc1cc2Cc3ccccc3c2cc1 22
101 , 11