General Information of the Compound
| Compound ID |
CP0530438
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| Compound Name |
US9434725, 147
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| Structure |
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| Formula |
C23H26N8
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| Molecular Weight |
414.517
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| Canonical SMILES |
C1CC(C1)n1cc(cn1)-c1cc2n(ncc2cn1)-c1cccc(n1)N1CCCNCC1
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| InChI |
InChI=1S/C23H26N8/c1-4-19(5-1)30-16-18(15-26-30)20-12-21-17(13-25-20)14-27-31(21)23-7-2-6-22(28-23)29-10-3-8-24-9-11-29/h2,6-7,12-16,19,24H,1,3-5,8-11H2
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| InChIKey |
HFJWCXGBCKLGBC-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