General Information of the Compound
| Compound ID |
CP0556016
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| Compound Name |
US9315498, 70
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| Structure |
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| Formula |
C19H18N4O
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| Molecular Weight |
318.38
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| Canonical SMILES |
O=C1N2CCCCC2CN1c1ccc(cn1)C#Cc1cccnc1
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| InChI |
InChI=1S/C19H18N4O/c24-19-22-11-2-1-5-17(22)14-23(19)18-9-8-16(13-21-18)7-6-15-4-3-10-20-12-15/h3-4,8-10,12-13,17H,1-2,5,11,14H2
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| InChIKey |
UTZDAUNSQCXFPR-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