General Information of the Compound
| Compound ID |
CP0343152
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| Compound Name |
US8575201, 28
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| Structure |
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| Formula |
C21H22N8O2
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| Molecular Weight |
418.461
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| Canonical SMILES |
COCCn1cc(cn1)-c1nc(no1)C1(CCC1)c1ccc(nc1)-c1cnc(N)nc1
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| InChI |
InChI=1S/C21H22N8O2/c1-30-8-7-29-13-15(11-26-29)18-27-19(28-31-18)21(5-2-6-21)16-3-4-17(23-12-16)14-9-24-20(22)25-10-14/h3-4,9-13H,2,5-8H2,1H3,(H2,22,24,25)
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| InChIKey |
SOXZMULFOLRMSM-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