General Information of the Compound
| Compound ID |
CP0519940
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| Compound Name |
(12S,14S)-12-(hydroxymethyl)-24-oxo-15,20-dioxa-2,4,5,9,11,23-hexazahexacyclo[19.7.1.13,10.111,14.04,8.022,27]hentriaconta-1(28),3(31),5,7,9,21(29),22(27)-heptaene-7-carbonitrile
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| Structure |
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| Formula |
C25H27N7O4
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| Molecular Weight |
489.536
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| Canonical SMILES |
OC[C@@H]1C[C@H]2CN1c1cc(Nc3cc4CCC(=O)Nc4c(OCCCCO2)c3)n2ncc(C#N)c2n1
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| InChI |
InChI=1S/C25H27N7O4/c26-11-16-12-27-32-22-10-21(29-25(16)32)31-13-19(9-18(31)14-33)35-5-1-2-6-36-20-8-17(28-22)7-15-3-4-23(34)30-24(15)20/h7-8,10,12,18-19,28,33H,1-6,9,13-14H2,(H,30,34)/t18-,19-/m0/s1
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| InChIKey |
QIZQEWVSJQPVSX-OALUTQOASA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT04856, B-cell lymphoma 6 protein
Protein ID: PT06722, Zinc finger and BTB domain-containing protein 16
Cell Viability or Cytotoxicity Assay
| Cell Line ID | Cell Line Name | Cell Line Organism | |
| CL000180 | Karpas-422 | Homo sapiens (Human) | 1 |
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GI50 = 19952.62 nM
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| CL000611 | OCI-Ly1 | Homo sapiens (Human) | 1 |
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GI50 = 25118.86 nM
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