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name Structure Reference Source Properties Activities Metabolism

None

AlkaPlorer ID: AK322408

Synonym: None

IUPAC Name: (1R,2R,5Z,12R,13S,16Z)-25-(2-hydroxypyrido[3,4-b]indol-1-yl)-11,22-diazatetracyclo[11.11.2.12,22.02,12]heptacosa-5,16,25-trien-13-ol

Structure

SMILES: [O-][N+]1=CC=C2C(=C1C1=C[C@@]3(O)CC/C=C\CCCCN4CC[C@@H]1[C@]1(CC/C=C\CCCCN[C@H]13)C4)NC1=CC=CC=C12

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InChI: InChI=1S/C36H46N4O2/c41-36-20-12-6-2-4-8-14-22-39-23-18-30(35(26-39)19-11-5-1-3-7-13-21-37-34(35)36)29(25-36)33-32-28(17-24-40(33)42)27-15-9-10-16-31(27)38-32/h1-2,5-6,9-10,15-17,24-25,30,34,37-38,41H,3-4,7-8,11-14,18-23,26H2/b5-1-,6-2-/t30-,34+,35-,36-/m0/s1

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InChIKey: WLAKKZBRRAGCTQ-GSXVTLMESA-N

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Reference

NPASS: NPC475288

Properties Information

Molecule Weight: 566.7900000000004

TPSA？: 78.23

MolLogP？: 6.389700000000007

Number of H-Donors: 3

Number of H-Acceptors: 4

RingCount: 7

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Homo sapiens Jurkat Activity nan None 10.1016/j.bmc.2019.115145
Homo sapiens Ramos Activity nan None 10.1016/j.bmc.2019.115145
Homo sapiens SU.86.86 Activity 20.0 % 10.1016/j.bmc.2019.115279
Mus musculus L5178Y ED50 3.2 ug ml-1 10.1016/j.ejmech.2021.113688
Mus musculus L5178Y ED50 3.2 ug ml-1 10.1021/np9604083
Mycobacterium tuberculosis Mycobacterium tuberculosis Activity nan None 10.1016/j.bmc.2019.115145
Spodoptera littoralis Spodoptera littoralis Inhibition 16.2 % 10.1021/np9604083
None Bone marrow cell Activity nan None 10.1016/j.bmc.2019.115145
None Dendritic cell FC 2.0 None 10.1016/j.bmc.2019.115145
None Unchecked Activity nan None 10.1016/j.bmc.2019.115145

Metabolism Information