General Information of the Compound
| Compound ID |
CP0571483
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| Compound Name |
US8772323, 22
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| Structure |
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| Formula |
C23H22N4O3
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| Molecular Weight |
402.454
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| Canonical SMILES |
O=C1NN=C(C2CC12)c1ccc2nc(oc2c1)-c1ccc(CN2CCOCC2)cc1
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| InChI |
InChI=1S/C23H22N4O3/c28-22-18-12-17(18)21(25-26-22)16-5-6-19-20(11-16)30-23(24-19)15-3-1-14(2-4-15)13-27-7-9-29-10-8-27/h1-6,11,17-18H,7-10,12-13H2,(H,26,28)
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| InChIKey |
FROSMLBIOBZTDT-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