General Information of the Compound
| Compound ID |
CP0487991
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| Compound Name |
US8716285, 36
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| Structure |
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| Formula |
C21H21N5O2
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| Molecular Weight |
375.432
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| Canonical SMILES |
CN(C1CCc2ccc(cc2C1)C(=O)NO)c1nccc(n1)-c1cccnc1
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| InChI |
InChI=1S/C21H21N5O2/c1-26(21-23-10-8-19(24-21)16-3-2-9-22-13-16)18-7-6-14-4-5-15(20(27)25-28)11-17(14)12-18/h2-5,8-11,13,18,28H,6-7,12H2,1H3,(H,25,27)
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| InChIKey |
DZFHQEGFDAYUAR-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