General Information of the Compound
| Compound ID |
CP0477805
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| Compound Name |
US9315498, 44
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| Structure |
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| Formula |
C21H21N3O
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| Molecular Weight |
331.419
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| Canonical SMILES |
CN1C(=O)N(CC11CCCC1)c1ccc(cn1)C#Cc1ccccc1
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| InChI |
InChI=1S/C21H21N3O/c1-23-20(25)24(16-21(23)13-5-6-14-21)19-12-11-18(15-22-19)10-9-17-7-3-2-4-8-17/h2-4,7-8,11-12,15H,5-6,13-14,16H2,1H3
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| InChIKey |
DPZBOPXKAJUVNN-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