| Predicate | Object |
|---|---|
| rdf:type | |
| chemicalCompound:standardIn... |
InChI=1S/C89H117ClN18O17/c1-8-9-10-11-12-24-75(110)97-67(47-58-25-32-60-20-13-14-21-61(60)43-58)80(115)100-68(44-55-26-33-62(90)34-27-55)82(117)102-71(48-59-19-17-39-92-50-59)84(119)104-73(51-109)85(120)103-70(46-56-28-35-63(36-29-56)95-78(113)72-49-76(111)106-88(123)105-72)83(118)101-69(45-57-30-37-64(38-31-57)96-89(124)107-125-7)81(116)99-66(42-52(2)3)79(114)98-65(22-15-16-40-93-53(4)5)87(122)108-41-18-23-74(108)86(121)94-54(6)77(91)112/h13-14,17,19-21,25-39,43,50,52-54,65-74,93,109H,8-12,15-16,18,22-24,40-42,44-49,51H2,1-7H3,(H2,91,112)(H,94,121)(H,95,113)(H,97,110)(H,98,114)(H,99,116)(H,100,115)(H,101,118)(H,102,117)(H,103,120)(H,104,119)(H2,96,107,124)(H2,105,106,111,123)/t54-,65+,66+,67-,68-,69-,70+,71-,72+,73+,74+/m1/s1
|
| chemicalCompound:standardIn... |
CYCBCOVMSJIGBZ-JZMKHTGVSA-N
|
| chemicalCompound:canonicalS... |
CCCCCCCC(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@H](Cc3ccc(Cl)cc3)C(=O)N[C@H](Cc4cccnc4)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc5ccc(NC(=O)[C@@H]6CC(=O)NC(=O)N6)cc5)C(=O)N[C@H](Cc7ccc(NC(=O)NOC)cc7)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCNC(C)C)C(=O)N8CCC[C@H]8C(=O)N[C@H](C)C(=O)N
|
| chemicalCompound:molecularF... |
C89 H117 Cl N18 O17
|
| chemicalCompound:moleculeId |
348954
|
| chemicalCompound:mwFreebase |
1746.44
|
| chemicalCompound:fullMwt |
1746.44
|
| chemicalCompound:chemblId |
CHEMBL374747
|
| 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 |