MRS4162-BODIPY conjugate [5424]
MRS4162-BODIPY conjugate
| SMILES |
O=C(CCCCCNC(=O)COc1ccc(/C=C/c2ccc3n2[B-](F)(F)[N+]2=C(c4cccs4)C=CC2=C3)cc1)NCCCn1cc(CCNC(=O)COc2ccc(CCCONc3ccn([C@@H]4O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]4O)c(=O)n3)cc2)nn1 |
| InChIKey |
IKFGJXBDIZQEHP-NJFIWEGUSA-N |
Chemical Properties
| Hydrogen bond acceptors |
24 |
| Hydrogen bond donors |
10 |
| Rotatable bonds |
36 |
| Log P |
4.455 |
| Molecular weight (Da) |
1387.4 |
| Stereochemistry info |
partial |
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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MRS4162-BODIPY conjugate
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.