General Information of the Compound
Compound ID |
CP0579437
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Compound Name |
US11136312, Compound MM-I-21
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Structure |
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Formula |
C26H28N6O
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Molecular Weight |
440.551
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Canonical SMILES |
COc1ccccc1Cc1nnc(CCc2c[nH]c3ccccc23)n1CCCc1c[nH]cn1
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InChI |
InChI=1S/C26H28N6O/c1-33-24-11-5-2-7-19(24)15-26-31-30-25(32(26)14-6-8-21-17-27-18-29-21)13-12-20-16-28-23-10-4-3-9-22(20)23/h2-5,7,9-11,16-18,28H,6,8,12-15H2,1H3,(H,27,29)
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InChIKey |
LBHHYXZZVWUQOJ-UHFFFAOYSA-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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PubChem ID |
Map of Molecular Bioactivity Related to the Compound
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