General Information of the Compound
| Compound ID |
CP0109955
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| Compound Name |
US8680275, 43
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| Structure |
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| Formula |
C22H26N8O
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| Molecular Weight |
418.505
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| Canonical SMILES |
CN(C)c1nc(C)cc(n1)N1CC2CCN(CC12)C(=O)c1ccccc1-n1nccn1
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| InChI |
InChI=1S/C22H26N8O/c1-15-12-20(26-22(25-15)27(2)3)29-13-16-8-11-28(14-19(16)29)21(31)17-6-4-5-7-18(17)30-23-9-10-24-30/h4-7,9-10,12,16,19H,8,11,13-14H2,1-3H3
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| InChIKey |
REABRJLCUXPAHI-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