General Information of the Compound
| Compound ID |
CP0469977
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| Compound Name |
(12S,14S)-12-(hydroxymethyl)-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)-heptaen-24-one
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| Structure |
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| Formula |
C24H28N6O4
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| Molecular Weight |
464.526
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| Canonical SMILES |
OC[C@@H]1C[C@H]2CN1c1cc(Nc3cc4CCC(=O)Nc4c(OCCCCO2)c3)n2nccc2n1
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| InChI |
InChI=1S/C24H28N6O4/c31-14-17-11-18-13-29(17)21-12-22(30-20(27-21)5-6-25-30)26-16-9-15-3-4-23(32)28-24(15)19(10-16)34-8-2-1-7-33-18/h5-6,9-10,12,17-18,26,31H,1-4,7-8,11,13-14H2,(H,28,32)/t17-,18-/m0/s1
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| InChIKey |
NPJLBTOWTCQVCX-ROUUACIJSA-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 |
| 1 |
GI50 = 12589.25 nM
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| CL000530 | OCI-Ly19 | Homo sapiens (Human) | 1 |
| 1 |
GI50 = 12589.25 nM
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