General Information of the Compound
| Compound ID |
CP0472404
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| Compound Name |
(14S)-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 |
C24H25N7O3
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| Molecular Weight |
459.51
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| Canonical SMILES |
O=C1CCc2cc3Nc4cc(nc5c(cnn45)C#N)N4CC[C@@H](C4)OCCCCOc(c3)c2N1
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| InChI |
InChI=1S/C24H25N7O3/c25-12-16-13-26-31-21-11-20(28-24(16)31)30-6-5-18(14-30)33-7-1-2-8-34-19-10-17(27-21)9-15-3-4-22(32)29-23(15)19/h9-11,13,18,27H,1-8,14H2,(H,29,32)/t18-/m0/s1
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| InChIKey |
SASZUXRNQTXQCM-SFHVURJKSA-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