NOTE: ******************************************************* NOTE: * * NOTE: * Medchem Database [c] Medchem00 * NOTE: * * NOTE: * Database maintained and published by BioByte Corp. * NOTE: * and Pomona College in cooperation with Daylight. * NOTE: * Copyright 1982-2000 BioByte Corp. and Pomona * NOTE: * College. All rights reserved. * NOTE: ******************************************************* Opened "/choya/thordb/medchem00.THOR@origin.daylight.com:thor" with permission "r".
SMILES |
MolForm C9H15N5O1 MolForm/parts ~
MolWt 209.13 MolWt/parts ~
McGowanVol 1.59
CLOGP 0.541 Error level All fragments measured Version 4.71
CMR 5.781 Error level High confidence CMR estimate Version 4.71
WLN T6N CNJ AO BZ FZ D- AT6NTJ
Local Name MINOXIDIL
Activity type (1) ANTI-HYPERTENSIVE
(2) ANTI-ALOPECIA
Reference ~
Activity type POTASSIUM CHANNEL OPENER Reference Annual Rpts. Medicinal Chem., 30, (1995)
LogP 1.24 Solvent pair Octanol Reference McCall,J.M., J. Med. Chem., (1975) 18, 549 Footnote ~ Selected * pH ~ Comment ~
LogPstar 1.24 LogPstar/confidence *
CAS Number 38304-91-5
Name MINOXIDIL
Name 24DIAMINO6PIPERIDINOPYRIMIDINE3OXIDE
Name LONITEN
Conformation -132.74 Name 1/1 3D-coords 90 numerical data Source rubicon 4.34 Comment mxdv 0.5000 mxvv 0.5000 grms 0.0097 bfvf 0.0031