General Information of the Compound
| Compound ID |
CP0507126
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| Compound Name |
US9073893, 16
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| Structure |
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| Formula |
C17H22N4O2
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| Molecular Weight |
314.389
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| Canonical SMILES |
NC(=O)c1cccc2[nH]n(C3CCN(CC3)C3CCC3)c(=O)c12
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| InChI |
InChI=1S/C17H22N4O2/c18-16(22)13-5-2-6-14-15(13)17(23)21(19-14)12-7-9-20(10-8-12)11-3-1-4-11/h2,5-6,11-12,19H,1,3-4,7-10H2,(H2,18,22)
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| InChIKey |
VPFGQWNBEHLGLL-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