General Information of the Compound
| Compound ID |
CP0412717
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| Compound Name |
US10604504, Example 45
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| Structure |
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| Formula |
C19H17N3O2
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| Molecular Weight |
319.364
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| Canonical SMILES |
Cc1c(NC(=O)C=C)cccc1-c1ccc(C(N)=O)c2[nH]ccc12
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| InChI |
InChI=1S/C19H17N3O2/c1-3-17(23)22-16-6-4-5-12(11(16)2)13-7-8-15(19(20)24)18-14(13)9-10-21-18/h3-10,21H,1H2,2H3,(H2,20,24)(H,22,23)
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| InChIKey |
VCUVORGMNPBWLP-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