General Information of the Compound
| Compound ID |
CP0487105
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| Compound Name |
US10759794, Example 208
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| Structure |
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| Formula |
C24H28N4O2
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| Molecular Weight |
404.514
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| Canonical SMILES |
COc1cccc(c1)-c1nc2ccccn2c1CN1CCN(CC1)C(=O)C1CCC1
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| InChI |
InChI=1S/C24H28N4O2/c1-30-20-9-5-8-19(16-20)23-21(28-11-3-2-10-22(28)25-23)17-26-12-14-27(15-13-26)24(29)18-6-4-7-18/h2-3,5,8-11,16,18H,4,6-7,12-15,17H2,1H3
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| InChIKey |
OPEBNCNKTDGSBT-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