derivative 17 [Nakahata et al., 2018] [2826]
derivative 17 [Nakahata et al., 2018]
| SMILES |
Cc1nn(-c2cccc3cc(Cc4cccc(C(F)(F)F)c4)sc23)c(CO)c1C(=O)NCCO |
| InChIKey |
VJMRKWPMFQGIPI-UHFFFAOYSA-N |
Chemical Properties
| Hydrogen bond acceptors |
6 |
| Hydrogen bond donors |
3 |
| Rotatable bonds |
7 |
| Log P |
4.219 |
| Molecular weight (Da) |
489.1 |
| Stereochemistry info |
unspecified |
Bioactivities
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| Receptor |
Activity |
Source |
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Gene |
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Type |
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| Receptor |
Activity |
Source |
| Protein |
Gene |
Species |
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Database |
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derivative 17 [Nakahata et al., 2018]
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.