General Information of the Compound
| Compound ID |
CP0133293
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| Compound Name |
US8680275, 149
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| Structure |
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| Formula |
C23H26N6O2
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| Molecular Weight |
418.501
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| Canonical SMILES |
COc1ccc(C(=O)N2CC[C@H]3CN([C@H]3C2)c2cc(C)cc(C)n2)c(c1)-n1nccn1
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| InChI |
InChI=1S/C23H26N6O2/c1-15-10-16(2)26-22(11-15)28-13-17-6-9-27(14-21(17)28)23(30)19-5-4-18(31-3)12-20(19)29-24-7-8-25-29/h4-5,7-8,10-12,17,21H,6,9,13-14H2,1-3H3/t17-,21-/m0/s1
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| InChIKey |
CHAHXUDUKPFECQ-UWJYYQICSA-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