General Information of the Compound
| Compound ID |
CP0569666
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| Compound Name |
US11136312, Compound BN-VI-61
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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 |
COc1cccc(Cc2nnc(CCc3c[nH]c4ccccc34)n2CCCc2c[nH]cn2)c1
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| InChI |
InChI=1S/C26H28N6O/c1-33-22-8-4-6-19(14-22)15-26-31-30-25(32(26)13-5-7-21-17-27-18-29-21)12-11-20-16-28-24-10-3-2-9-23(20)24/h2-4,6,8-10,14,16-18,28H,5,7,11-13,15H2,1H3,(H,27,29)
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| InChIKey |
YQSNGENSKDWUNV-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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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