example 494 [WO2014028479] parent molecule [3309]
example 494 [WO2014028479] parent molecule
| SMILES |
Cc1nccc2nc(NC3CC3)c(N3CCC(Cc4ccc(F)cc4F)CC3)nc12 |
| InChIKey |
PWJURAYPJMGEQA-UHFFFAOYSA-N |
Chemical Properties
| Hydrogen bond acceptors |
5 |
| Hydrogen bond donors |
1 |
| Rotatable bonds |
5 |
| Log P |
4.645 |
| Molecular weight (Da) |
409.2 |
| Stereochemistry info |
unspecified |
Bioactivities
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| Receptor |
Activity |
Source |
| Protein |
Gene |
Species |
Family |
Class |
Type |
Min |
Avg |
Max |
Database |
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| Receptor |
Activity |
Source |
| Protein |
Gene |
Species |
Family |
Class |
Type |
Min |
Avg |
Max |
Database |
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example 494 [WO2014028479] parent molecule
Drug properties
| Molecular type |
Small molecule |
| Physiological/Surrogate |
Surrogate |
| Approved drug |
No |
Distribution across phases (no. indications)
Phase I
0
Phase II
0
Phase III
0
Phase IV
0
Compound is not listed as a drug.