General Information of the Compound
| Compound ID |
CP0550093
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| Compound Name |
US8802663, 151
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| Structure |
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| Formula |
C26H26N8O
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| Molecular Weight |
466.549
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| Canonical SMILES |
C(Cn1cncn1)c1ccc(cc1)-c1noc(n1)-c1cnn(C2CCCCC2)c1-c1ccncc1
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| InChI |
InChI=1S/C26H26N8O/c1-2-4-22(5-3-1)34-24(20-10-13-27-14-11-20)23(16-29-34)26-31-25(32-35-26)21-8-6-19(7-9-21)12-15-33-18-28-17-30-33/h6-11,13-14,16-18,22H,1-5,12,15H2
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| InChIKey |
SOZUDUJHKPGXRU-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