General Information of the Compound
| Compound ID |
CP0564128
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| Compound Name |
US10100018, Example 27
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| Structure |
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| Formula |
C29H22N2O4
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| Molecular Weight |
462.505
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| Canonical SMILES |
OC(=O)c1ccc(CN(Cc2ccccc2)C(=O)c2ccc(Oc3ccccc3C#N)cc2)cc1
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| InChI |
InChI=1S/C29H22N2O4/c30-18-25-8-4-5-9-27(25)35-26-16-14-23(15-17-26)28(32)31(19-21-6-2-1-3-7-21)20-22-10-12-24(13-11-22)29(33)34/h1-17H,19-20H2,(H,33,34)
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| InChIKey |
WSECLOSWBXLDEI-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