General Information of the Compound
| Compound ID |
CP0483912
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| Compound Name |
US9428456, 2.030
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| Structure |
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| Formula |
C28H30ClN3O3
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| Molecular Weight |
492.019
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| Canonical SMILES |
COc1ccc(CNC(=O)C2CCN(Cc3cccc(NC(=O)c4ccc(Cl)cc4)c3)CC2)cc1
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| InChI |
InChI=1S/C28H30ClN3O3/c1-35-26-11-5-20(6-12-26)18-30-27(33)23-13-15-32(16-14-23)19-21-3-2-4-25(17-21)31-28(34)22-7-9-24(29)10-8-22/h2-12,17,23H,13-16,18-19H2,1H3,(H,30,33)(H,31,34)
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| InChIKey |
ORFDJCGVAYELTA-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