General Information of the Compound
| Compound ID |
CP0562377
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| Compound Name |
US9315498, 100
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| Structure |
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| Formula |
C21H22N4O
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| Molecular Weight |
346.434
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| Canonical SMILES |
CCN1C2CCCCC2N(C1=O)c1ccc(cn1)C#Cc1cccnc1
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| InChI |
InChI=1S/C21H22N4O/c1-2-24-18-7-3-4-8-19(18)25(21(24)26)20-12-11-17(15-23-20)10-9-16-6-5-13-22-14-16/h5-6,11-15,18-19H,2-4,7-8H2,1H3
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| InChIKey |
VRVKFNJWMRDCFU-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