General Information of the Compound
| Compound ID |
CP0488761
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| Compound Name |
US8993586, 16
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| Structure |
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| Formula |
C22H28N6O2
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| Molecular Weight |
408.506
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| Canonical SMILES |
CC(C)n1ncc2CC3(CCN(CC3)C(=O)C3=CC4C(NN=C4C)C=C3)NC(=O)c12
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| InChI |
InChI=1S/C22H28N6O2/c1-13(2)28-19-16(12-23-28)11-22(24-20(19)29)6-8-27(9-7-22)21(30)15-4-5-18-17(10-15)14(3)25-26-18/h4-5,10,12-13,17-18,26H,6-9,11H2,1-3H3,(H,24,29)
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| InChIKey |
LIBAQNPXMCTUEP-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