| Predicate | Object |
|---|---|
| rdf:type | |
| chemicalCompound:standardIn... |
InChI=1S/C85H114ClN17O15/c1-8-9-10-11-12-24-73(105)94-66(47-57-25-32-59-20-13-14-21-60(59)43-57)76(108)97-67(44-54-26-33-61(86)34-27-54)78(110)99-70(48-58-19-17-39-89-49-58)80(112)101-71(50-104)81(113)100-69(46-56-30-37-63(38-31-56)93-85(117)102-118-7)79(111)98-68(45-55-28-35-62(36-29-55)92-84(88)116)77(109)96-65(42-51(2)3)75(107)95-64(22-15-16-40-90-52(4)5)83(115)103-41-18-23-72(103)82(114)91-53(6)74(87)106/h13-14,17,19-21,25-39,43,49,51-53,64-72,90,104H,8-12,15-16,18,22-24,40-42,44-48,50H2,1-7H3,(H2,87,106)(H,91,114)(H,94,105)(H,95,107)(H,96,109)(H,97,108)(H,98,111)(H,99,110)(H,100,113)(H,101,112)(H3,88,92,116)(H2,93,102,117)/t53-,64+,65+,66-,67-,68-,69+,70-,71+,72+/m1/s1
|
| chemicalCompound:standardIn... |
HDXZVMHXWJDOAI-QDLDYCRTSA-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)NOC)cc5)C(=O)N[C@H](Cc6ccc(NC(=O)N)cc6)C(=O)N[C@@H](CC(C)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... |
C85 H114 Cl N17 O15
|
| chemicalCompound:moleculeId |
348437
|
| chemicalCompound:mwFreebase |
1649.37
|
| chemicalCompound:fullMwt |
1649.37
|
| chemicalCompound:chemblId |
CHEMBL376466
|
| 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 |