General Information of the Compound
| Compound ID |
CP0410700
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| Compound Name |
US10022354, Example 48
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| Structure |
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| Formula |
C22H28N6O
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| Molecular Weight |
392.507
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| Canonical SMILES |
Cc1cc(cc(n1)C1CCN(C1)C(=O)c1cc(n[nH]1)C(C)(C)C)-c1cnn(C)c1
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| InChI |
InChI=1S/C22H28N6O/c1-14-8-16(17-11-23-27(5)12-17)9-18(24-14)15-6-7-28(13-15)21(29)19-10-20(26-25-19)22(2,3)4/h8-12,15H,6-7,13H2,1-5H3,(H,25,26)
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| InChIKey |
ZERBYEGVAVBBON-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