General Information of the Compound
| Compound ID |
CP0484332
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| Compound Name |
US10399974, Example 56
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| Structure |
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| Formula |
C23H26N8O
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| Molecular Weight |
430.516
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| Canonical SMILES |
CCOc1cc(ccc1Nc1ncc2cc(C)nc(N3CCCC3)c2n1)-c1nncn1C
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| InChI |
InChI=1S/C23H26N8O/c1-4-32-19-12-16(21-29-25-14-30(21)3)7-8-18(19)27-23-24-13-17-11-15(2)26-22(20(17)28-23)31-9-5-6-10-31/h7-8,11-14H,4-6,9-10H2,1-3H3,(H,24,27,28)
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| InChIKey |
VHRZLROQUWIXSC-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