General Information of the Compound
| Compound ID |
CP0906766
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| Compound Name |
US9133168, Example 16d
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| Structure |
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| Formula |
C21H24N4O3
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| Molecular Weight |
380.448
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| Canonical SMILES |
O=C(Cc1nc(N2CCOCC2)cc(=O)[nH]1)N1c2ccccc2C2CCCC21
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| InChI |
InChI=1S/C21H24N4O3/c26-20-13-19(24-8-10-28-11-9-24)22-18(23-20)12-21(27)25-16-6-2-1-4-14(16)15-5-3-7-17(15)25/h1-2,4,6,13,15,17H,3,5,7-12H2,(H,22,23,26)
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| InChIKey |
YCGYMXRYSLBXAS-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