General Information of the Compound
| Compound ID |
CP0577889
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| Compound Name |
US9428456, 2.029
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| Structure |
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| Formula |
C27H27Cl2N3O2
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| Molecular Weight |
496.438
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| Canonical SMILES |
Clc1ccc(CNC(=O)C2CCN(Cc3cccc(NC(=O)c4ccc(Cl)cc4)c3)CC2)cc1
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| InChI |
InChI=1S/C27H27Cl2N3O2/c28-23-8-4-19(5-9-23)17-30-26(33)22-12-14-32(15-13-22)18-20-2-1-3-25(16-20)31-27(34)21-6-10-24(29)11-7-21/h1-11,16,22H,12-15,17-18H2,(H,30,33)(H,31,34)
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| InChIKey |
XLXZLHUTYQXVQU-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