General Information of the Compound
| Compound ID |
CP0251623
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| Compound Name |
US10501467, Example 33
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| Structure |
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| Formula |
C21H28N4O
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| Molecular Weight |
352.482
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| Canonical SMILES |
CCN(CC)CCn1c2CC(C)(C)Cc3n[nH]c(=O)c4cccc1c4c23
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| InChI |
InChI=1S/C21H28N4O/c1-5-24(6-2)10-11-25-16-9-7-8-14-18(16)19-15(22-23-20(14)26)12-21(3,4)13-17(19)25/h7-9H,5-6,10-13H2,1-4H3,(H,23,26)
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| InChIKey |
OGMWSRSCJFPYFR-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