General Information of the Compound
| Compound ID |
CP0492878
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| Compound Name |
US9409917, 116
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| Structure |
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| Formula |
C17H12Cl2N2O3
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| Molecular Weight |
363.2
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| Canonical SMILES |
Clc1cc2CC(NC(=O)C3COc4ncccc34)C(=O)c2c(Cl)c1
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| InChI |
InChI=1S/C17H12Cl2N2O3/c18-9-4-8-5-13(15(22)14(8)12(19)6-9)21-16(23)11-7-24-17-10(11)2-1-3-20-17/h1-4,6,11,13H,5,7H2,(H,21,23)
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| InChIKey |
QAWCAQCOBWYFOU-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