Predicate | Object |
---|---|
rdf:type | |
chemicalCompound:standardIn... |
InChI=1S/C82H122N28O14/c1-3-15-57(71(117)103-61(25-13-37-97-81(91)92)75(121)107-63(67(85)113)39-45-27-31-49(111)32-28-45)101-73(119)59(23-11-35-95-79(87)88)105-77(123)65(41-47-43-99-55-21-9-5-17-51(47)55)109-69(115)53(83)19-7-8-20-54(84)70(116)110-66(42-48-44-100-56-22-10-6-18-52(48)56)78(124)106-60(24-12-36-96-80(89)90)74(120)102-58(16-4-2)72(118)104-62(26-14-38-98-82(93)94)76(122)108-64(68(86)114)40-46-29-33-50(112)34-30-46/h5-6,9-10,17-18,21-22,27-34,43-44,53-54,57-66,99-100,111-112H,3-4,7-8,11-16,19-20,23-26,35-42,83-84H2,1-2H3,(H2,85,113)(H2,86,114)(H,101,119)(H,102,120)(H,103,117)(H,104,118)(H,105,123)(H,106,124)(H,107,121)(H,108,122)(H,109,115)(H,110,116)(H4,87,88,95)(H4,89,90,96)(H4,91,92,97)(H4,93,94,98)/t53?,54?,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-/m0/s1
|
chemicalCompound:standardIn... |
OWXAFDOATMPIJT-YCMBARDJSA-N
|
chemicalCompound:canonicalS... |
CCC[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C(N)CCCCC(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... |
C82 H122 N28 O14
|
chemicalCompound:moleculeId |
343368
|
chemicalCompound:mwFreebase |
1724.03
|
chemicalCompound:fullMwt |
1724.03
|
chemicalCompound:chemblId |
CHEMBL436499
|
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 |
activity:1702894,
activity:1702895,
activity:1702902,
activity:1702903,
activity:1702910,
activity:1702911,
activity:1702918,
activity:1702919,
activity:1702929,
activity:1702930,
activity:1702937,
activity:1702938,
activity:1702945,
activity:1702946,
activity:1702954,
activity:1702955,
activity:1702961,
activity:1702965,
activity:1702970,
activity:1702971,
activity:1702981,
activity:1702982
|