General Information of the Compound
| Compound ID |
CP0484945
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| Compound Name |
US8772323, 96
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| Structure |
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| Formula |
C21H22N4O2
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| Molecular Weight |
362.433
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| Canonical SMILES |
CCC1CC(=O)NN=C1c1ccc2nc(oc2c1)-c1ccc(cc1)N(C)C
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| InChI |
InChI=1S/C21H22N4O2/c1-4-13-12-19(26)23-24-20(13)15-7-10-17-18(11-15)27-21(22-17)14-5-8-16(9-6-14)25(2)3/h5-11,13H,4,12H2,1-3H3,(H,23,26)
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| InChIKey |
HYNZPMQJZRQWNV-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