General Information of the Compound
| Compound ID |
CP0557423
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| Compound Name |
US9315498, 58
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| Structure |
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| Formula |
C20H19N3O
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| Molecular Weight |
317.392
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| Canonical SMILES |
O=C1N2CCCCC2CN1c1ccc(cn1)C#Cc1ccccc1
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| InChI |
InChI=1S/C20H19N3O/c24-20-22-13-5-4-8-18(22)15-23(20)19-12-11-17(14-21-19)10-9-16-6-2-1-3-7-16/h1-3,6-7,11-12,14,18H,4-5,8,13,15H2
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| InChIKey |
QMHAWAKKRSCIRL-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