| Predicate | Object |
|---|---|
| rdf:type | |
| chemicalCompound:standardIn... |
InChI=1S/C80H118N28O14S2/c1-3-13-55(69(115)101-59(21-11-33-95-79(89)90)73(119)105-61(65(83)111)35-43-23-27-47(109)28-24-43)99-71(117)57(19-9-31-93-77(85)86)103-75(121)63(37-45-39-97-53-17-7-5-15-49(45)53)107-67(113)51(81)41-123-124-42-52(82)68(114)108-64(38-46-40-98-54-18-8-6-16-50(46)54)76(122)104-58(20-10-32-94-78(87)88)72(118)100-56(14-4-2)70(116)102-60(22-12-34-96-80(91)92)74(120)106-62(66(84)112)36-44-25-29-48(110)30-26-44/h5-8,15-18,23-30,39-40,51-52,55-64,97-98,109-110H,3-4,9-14,19-22,31-38,41-42,81-82H2,1-2H3,(H2,83,111)(H2,84,112)(H,99,117)(H,100,118)(H,101,115)(H,102,116)(H,103,121)(H,104,122)(H,105,119)(H,106,120)(H,107,113)(H,108,114)(H4,85,86,93)(H4,87,88,94)(H4,89,90,95)(H4,91,92,96)/t51-,52-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-/m0/s1
|
| chemicalCompound:standardIn... |
QUIHYEFPGVPGCQ-HCHGDIHTSA-N
|
| chemicalCompound:canonicalS... |
CCC[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)CSSC[C@H](N)C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc5ccc(O)cc5)C(=O)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc6ccc(O)cc6)C(=O)N
|
| chemicalCompound:molecularF... |
C80 H118 N28 O14 S2
|
| chemicalCompound:moleculeId |
278226
|
| chemicalCompound:mwFreebase |
1760.1
|
| chemicalCompound:fullMwt |
1760.1
|
| chemicalCompound:chemblId |
CHEMBL438548
|
| 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 |