General Information of the Compound
| Compound ID |
CP0558621
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| Compound Name |
US10022354, Example 46
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| Structure |
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| Formula |
C21H26N6O
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| Molecular Weight |
378.48
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| Canonical SMILES |
CCCc1cc([nH]n1)C(=O)N1CCC(C1)c1cc(cc(C)n1)-c1cnn(C)c1
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| InChI |
InChI=1S/C21H26N6O/c1-4-5-18-10-20(25-24-18)21(28)27-7-6-15(13-27)19-9-16(8-14(2)23-19)17-11-22-26(3)12-17/h8-12,15H,4-7,13H2,1-3H3,(H,24,25)
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| InChIKey |
YFFSYLDTZXRIBZ-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