General Information of the Compound
| Compound ID |
CP0572079
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| Compound Name |
US10561662, Example 76
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| Structure |
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| Formula |
C18H18N4O2
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| Molecular Weight |
322.368
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| Canonical SMILES |
Cc1ccc(CCNC(=O)Cn2nnc3ccccc3c2=O)cc1
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| InChI |
InChI=1S/C18H18N4O2/c1-13-6-8-14(9-7-13)10-11-19-17(23)12-22-18(24)15-4-2-3-5-16(15)20-21-22/h2-9H,10-12H2,1H3,(H,19,23)
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| InChIKey |
RHLQOJVKJGYHQZ-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