General Information of the Compound
| Compound ID |
CP0578569
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| Compound Name |
US9428456, 2.025
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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(cc1)C(=O)Nc1cccc(CN2CCC(CC2)C(=O)NCc2ccccc2Cl)c1
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| InChI |
InChI=1S/C27H27Cl2N3O2/c28-23-10-8-20(9-11-23)27(34)31-24-6-3-4-19(16-24)18-32-14-12-21(13-15-32)26(33)30-17-22-5-1-2-7-25(22)29/h1-11,16,21H,12-15,17-18H2,(H,30,33)(H,31,34)
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| InChIKey |
AKXDBIHZEOMCMQ-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