General Information of the Compound
| Compound ID |
CP0216812
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| Compound Name |
US8664236, A21
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| Structure |
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| Formula |
C25H26N8O2
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| Molecular Weight |
470.537
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| Canonical SMILES |
COCC(O)CN(c1ccccc1)c1cc(nc(N)n1)-c1c[nH]c2ncc(cc12)-c1cnn(C)c1
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| InChI |
InChI=1S/C25H26N8O2/c1-32-13-17(11-29-32)16-8-20-21(12-28-24(20)27-10-16)22-9-23(31-25(26)30-22)33(14-19(34)15-35-2)18-6-4-3-5-7-18/h3-13,19,34H,14-15H2,1-2H3,(H,27,28)(H2,26,30,31)
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| InChIKey |
XESMZCIIVMASQD-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