General Information of the Compound
| Compound ID |
CP0342881
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| Compound Name |
US9238651, A24
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| Structure |
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| Formula |
C25H23ClN8O
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| Molecular Weight |
486.967
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| Canonical SMILES |
CCC(=O)CN(c1ccc(Cl)cc1)c1cc(nc(N)n1)-c1c[nH]c2ncc(cc12)-c1cnn(C)c1
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| InChI |
InChI=1S/C25H23ClN8O/c1-3-19(35)14-34(18-6-4-17(26)5-7-18)23-9-22(31-25(27)32-23)21-12-29-24-20(21)8-15(10-28-24)16-11-30-33(2)13-16/h4-13H,3,14H2,1-2H3,(H,28,29)(H2,27,31,32)
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| InChIKey |
UVPFIXBNVGNVTE-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