General Information of the Compound
| Compound ID |
CP0231766
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| Compound Name |
US9828369, Example 155
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| Structure |
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| Formula |
C25H19Cl2N3O3
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| Molecular Weight |
480.351
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| Canonical SMILES |
COC(=O)c1cccc(c1)-c1ccc(CNC(=O)Nc2cccc(Cl)c2Cl)c2cnccc12
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| InChI |
InChI=1S/C25H19Cl2N3O3/c1-33-24(31)16-5-2-4-15(12-16)18-9-8-17(20-14-28-11-10-19(18)20)13-29-25(32)30-22-7-3-6-21(26)23(22)27/h2-12,14H,13H2,1H3,(H2,29,30,32)
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| InChIKey |
ABURUAFJRDJWAN-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