General Information of the Compound
| Compound ID |
CP0553316
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| Compound Name |
CHEMBL2204046
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| Formula |
C23H22Cl2N2O2
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| Molecular Weight |
429.347
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| Canonical SMILES |
Clc1ccc(Cl)c(Cc2c([nH]c(=O)[nH]c2=O)[C@@H]2CC[C@@H](CC2)c2ccccc2)c1
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| InChI |
InChI=1S/C23H22Cl2N2O2/c24-18-10-11-20(25)17(12-18)13-19-21(26-23(29)27-22(19)28)16-8-6-15(7-9-16)14-4-2-1-3-5-14/h1-5,10-12,15-16H,6-9,13H2,(H2,26,27,28,29)/t15-,16+
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| InChIKey |
KFZYMBGEXOMVGX-IYBDPMFKSA-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