General Information of the Compound
| Compound ID |
CP0346996
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| Compound Name |
US9266883, 31
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| Structure |
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| Formula |
C21H21N5O3
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| Molecular Weight |
391.431
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| Canonical SMILES |
O=Cc1ccc2CCCN(C(=O)Nc3cc(C4CCOCC4)c(cn3)C#N)c2n1
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| InChI |
InChI=1S/C21H21N5O3/c22-11-16-12-23-19(10-18(16)14-5-8-29-9-6-14)25-21(28)26-7-1-2-15-3-4-17(13-27)24-20(15)26/h3-4,10,12-14H,1-2,5-9H2,(H,23,25,28)
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| InChIKey |
GURMECOKUZULQS-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