General Information of the Compound
| Compound ID |
CP0262123
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| Compound Name |
US10501467, Example 42
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| Structure |
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| Formula |
C12H10N4O
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| Molecular Weight |
226.239
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| Canonical SMILES |
O=c1[nH]nc2CNCc3[nH]c4cccc1c4c23
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| InChI |
InChI=1S/C12H10N4O/c17-12-6-2-1-3-7-10(6)11-8(14-7)4-13-5-9(11)15-16-12/h1-3,13-14H,4-5H2,(H,16,17)
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| InChIKey |
UDDKBUNBKDWDBU-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