| Predicate | Object |
|---|---|
| rdf:type | |
| chemicalCompound:standardIn... |
InChI=1S/C82H112ClN17O12/c1-52(2)43-67(76(106)95-66(28-13-18-39-88-53(3)4)82(112)100-42-20-29-72(100)81(111)91-54(5)73(84)103)96-75(105)65(27-12-15-37-87-50-63-25-10-17-41-90-63)93-74(104)64(26-11-14-36-86-49-62-24-9-16-40-89-62)94-80(110)71(51-101)99-79(109)70(47-58-21-19-38-85-48-58)98-78(108)69(45-56-31-34-61(83)35-32-56)97-77(107)68(92-55(6)102)46-57-30-33-59-22-7-8-23-60(59)44-57/h7-10,16-17,19,21-25,30-35,38,40-41,44,48,52-54,64-72,86-88,101H,11-15,18,20,26-29,36-37,39,42-43,45-47,49-51H2,1-6H3,(H2,84,103)(H,91,111)(H,92,102)(H,93,104)(H,94,110)(H,95,106)(H,96,105)(H,97,107)(H,98,108)(H,99,109)/t54-,64+,65+,66+,67+,68-,69-,70-,71+,72-/m1/s1
|
| chemicalCompound:standardIn... |
KYGMIFDTUCGOIF-WEUAGTHGSA-N
|
| chemicalCompound:canonicalS... |
CC(C)C[C@H](NC(=O)[C@H](CCCCNCc1ccccn1)NC(=O)[C@H](CCCCNCc2ccccn2)NC(=O)[C@H](CO)NC(=O)[C@@H](Cc3cccnc3)NC(=O)[C@@H](Cc4ccc(Cl)cc4)NC(=O)[C@@H](Cc5ccc6ccccc6c5)NC(=O)C)C(=O)N[C@@H](CCCCNC(C)C)C(=O)N7CCC[C@@H]7C(=O)N[C@H](C)C(=O)N
|
| chemicalCompound:molecularF... |
C82 H112 Cl N17 O12
|
| chemicalCompound:moleculeId |
262538
|
| chemicalCompound:mwFreebase |
1563.33
|
| chemicalCompound:fullMwt |
1563.33
|
| chemicalCompound:chemblId |
CHEMBL430349
|
| chemicalCompound:maxPhase |
0
|
| chemicalCompound:therapeuti... |
0
|
| chemicalCompound:dosedIngre... |
No
|
| chemicalCompound:structureT... | |
| chemicalCompound:chebi | |
| chemicalCompound:moleculeTy... | |
| chemicalCompound:oral |
No
|
| chemicalCompound:parenteral |
No
|
| chemicalCompound:topical |
No
|
| chemicalCompound:blackBoxWa... |
No
|
| chemicalCompound:naturalPro... |
No
|
| chemicalCompound:proDrug |
No
|
| chemicalCompound:activity |