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Gene Set: D4 : TTD - Ac-I[CV(Bpa)QDWGAHRC]T-NH2

Collection D4 : TTD
Chemical Name Ac-I[CV(Bpa)QDWGAHRC]T-NH2 ( From PubChem : AC-I[CV(BPA)QDWGAHRC]T-NH2 )
FDA NPC WHO Indian Australia China Traditional
Herbal		 Clinical
Trail
NotNotNotNotNotNotNotNot
Molecular
Weight		 Hydrogen Bond
Donor Count		 Hydrogen Bond
Acceptor Count		 cLogP Lipinski Rule
1678.89 g/mol 21 40 3.1424 False(1/4)
Structure
InChI InChI=1S/C76H103N21O19S2/c1-8-38(4)61(87-41(7)99)75(116)95-56-35-118-117-34-55(73(114)97-62(40(6)98)64(78)105)94-67(108)49(19-14-26-82-76(79)80)88-70(111)53(29-46-32-81-36-85-46)90-65(106)39(5)86-58(101)33-84-66(107)52(28-45-31-83-48-18-13-12-17-47(45)48)91-71(112)54(30-59(102)103)92-68(109)50(24-25-57(77)100)89-69(110)51(93-74(115)60(37(2)3)96-72(56)113)27-42-20-22-44(23-21-42)63(104)43-15-10-9-11-16-43/h9-13,15-18,20-23,31-32,36-40,49-56,60-62,83,98H,8,14,19,24-30,33-35H2,1-7H3,(H2,77,100)(H2,78,105)(H,81,85)(H,84,107)(H,86,101)(H,87,99)(H,88,111)(H,89,110)(H,90,106)(H,91,112)(H,92,109)(H,93,115)(H,94,108)(H,95,116)(H,96,113)(H,97,114)(H,102,103)(H4,79,80,82)/t38-,39-,40+,49-,50-,51-,52-,53+,54+,55-,56-,60-,61-,62-/m0/s1
InChIKey WGQRWXBFHFOWBH-SORWEXASSA-N
Links

Gene (1 / 1)


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Source Type Unit Value Gene PMID Assay Other
TTDInhibitorC3Research target
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