General Information of the Compound
| Compound ID |
CP0165182
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| Compound Name |
US10118902, Example 77
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| Structure |
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| Formula |
C29H36N4O2
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| Molecular Weight |
472.633
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| Canonical SMILES |
COC1CCN(CC1)c1ccc2nc(nc(N3CCC(CC3)c3ccccc3OC)c2c1)C1CC1
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| InChI |
InChI=1S/C29H36N4O2/c1-34-23-13-17-32(18-14-23)22-9-10-26-25(19-22)29(31-28(30-26)21-7-8-21)33-15-11-20(12-16-33)24-5-3-4-6-27(24)35-2/h3-6,9-10,19-21,23H,7-8,11-18H2,1-2H3
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| InChIKey |
OYPGNTLBOHWGNH-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