General Information of the Compound
| Compound ID |
CP0555892
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| Compound Name |
US10138245, Example 48A
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| Structure |
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| Formula |
C21H18N6
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| Molecular Weight |
354.417
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| Canonical SMILES |
Cc1cc(C)n2nc(nc2n1)-c1ccc2n(C)c(nc2c1)-c1ccccc1
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| InChI |
InChI=1S/C21H18N6/c1-13-11-14(2)27-21(22-13)24-19(25-27)16-9-10-18-17(12-16)23-20(26(18)3)15-7-5-4-6-8-15/h4-12H,1-3H3
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| InChIKey |
PAJYRGIEPUAUJV-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