General Information of the Compound
| Compound ID |
CP0569522
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| Compound Name |
US8772323, 118
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| Structure |
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| Formula |
C16H18N4O2
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| Molecular Weight |
298.346
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| Canonical SMILES |
O=C1CCC(=NN1)c1ccc2nc(oc2c1)N1CCCCC1
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| InChI |
InChI=1S/C16H18N4O2/c21-15-7-6-12(18-19-15)11-4-5-13-14(10-11)22-16(17-13)20-8-2-1-3-9-20/h4-5,10H,1-3,6-9H2,(H,19,21)
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| InChIKey |
BPADYKARPZDBLC-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