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Gene Set: D4 : CTD - leiurotoxin I


Collection D4 : CTD
Chemical Name leiurotoxin I ( From PubChem : SCYLLATOXIN )
FDA NPC WHO Indian Australia China Traditional
Herbal
Clinical
Trail
NotNotNotNotNotNotNotNot
Molecular
Weight
Hydrogen Bond
Donor Count
Hydrogen Bond
Acceptor Count
cLogP Lipinski Rule
3429.18 g/mol 54 90 4.1196 False(1/4)
Structure
InChI InChI=1S/C142H243N45O39S7/c1-17-75(14)112(139(225)159-59-108(194)163-95(55-110(197)198)130(216)164-80(32-22-25-42-144)121(207)180-98(62-227)135(221)168-85(37-39-109(195)196)123(209)183-102(66-231)137(223)186-111(74(12)13)140(226)170-81(33-23-26-43-145)119(205)171-87(113(149)199)53-78-56-154-68-160-78)187-138(224)103(67-232)182-117(203)79(31-21-24-41-143)161-106(192)57-157-115(201)88(47-69(2)3)173-125(211)90(49-71(6)7)162-107(193)58-158-116(202)89(48-70(4)5)174-131(217)96(60-188)178-120(206)83(35-28-45-156-142(152)153)166-133(219)100(64-229)185-132(218)97(61-189)179-127(213)92(51-73(10)11)175-122(208)84(36-38-104(147)190)167-134(220)99(63-228)181-124(210)86(40-46-233-16)169-118(204)82(34-27-44-155-141(150)151)165-126(212)91(50-72(8)9)176-129(215)94(54-105(148)191)177-136(222)101(65-230)184-128(214)93(172-114(200)76(15)146)52-77-29-19-18-20-30-77/h18-20,29-30,56,68-76,79-103,111-112,188-189,227-232H,17,21-28,31-55,57-67,143-146H2,1-16H3,(H2,147,190)(H2,148,191)(H2,149,199)(H,154,160)(H,157,201)(H,158,202)(H,159,225)(H,161,192)(H,162,193)(H,163,194)(H,164,216)(H,165,212)(H,166,219)(H,167,220)(H,168,221)(H,169,204)(H,170,226)(H,171,205)(H,172,200)(H,173,211)(H,174,217)(H,175,208)(H,176,215)(H,177,222)(H,178,206)(H,179,213)(H,180,207)(H,181,210)(H,182,203)(H,183,209)(H,184,214)(H,185,218)(H,186,223)(H,187,224)(H,195,196)(H,197,198)(H4,150,151,155)(H4,152,153,156)/t75-,76-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,111-,112-/m0/s1
InChIKey MXWDLLUGULWYIQ-BFRWRHKQSA-N
Links

Gene (2 / 2)


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Source Type Unit Value Gene PMID Assay Other
CTDdecreases(activity)KCNN1
C056574
CTDdecreases(activity)KCNN2
C056574
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