Pubchem ID | 135343350 |
---|---|
CAS | 9005-43-0 |
IUPAC name | (1S,2S)-N-[8-amino-6-[4-methyl-2-(2-methylpyrazol-3-yl)pyridin-3-yl]isoquinolin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide |
Synonyms | - |
Categories | Color |
SMILES | CC1=C(C(=NC=C1)C2=CC=NN2C)C3=CC(=C4C=NC(=CC4=C3)NC(=O)C5CC5C6=CN(N=C6)C)N |
InCheykey | InChI=1S/C27H26N8O/c1-15-4-6-29-26(23-5-7-31-35(23)3)25(15)17-8-16-10-24(30-13-21(16)22(28)9-17)33-27(36)20-11-19(20)18-12-32-34(2)14-18/h4-10,12-14,19-20H,11,28H2,1-3H3,(H,30,33,36)/t19-,20+/m1/s1 |
Natural | nan |
E No. | - |
GHS Siginal | - |
ADI Value | - |
Molecular weight | Hydrogen Bond Donor count | Hydrogen Bond Acceptor count | Rotatable bonds | Topological Polor Surface Area |
---|---|---|---|---|
478.56 | 2 | 6 | 5 | 117.0 |
Human Intestinal Absorption | Aqueous Solubility Level | Plasma Protein Binding Level | Blood Brain Barrier Penetration | CYP2DE Binding Level | Hepatotoxicity Level |
---|---|---|---|---|---|
Good Absorption | Low Solubility | Binder | Undefined | Non - Inhibitor | Toxic |
Carcinogenicity | Developmental Toxicity | Mutagenicity (Ames) | Skin Irritancy | Skin Sensitization | Ocular Irritancy | Aerobic Biodegradability |
---|---|---|---|---|---|---|
Carcinogen | Non-Toxic | Non-Mutagen | Non-Irritant | Irritant | Irritant | Non-Degradable |