General Information of the Compound
| Compound ID |
CP0429798
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| Compound Name |
US10174015, Compound 42
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| Structure |
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| Formula |
C16H12ClNO4
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| Molecular Weight |
317.728
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| Canonical SMILES |
Clc1cccc(Oc2ccc(cc2)C(=O)N2CCOC2=O)c1
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| InChI |
InChI=1S/C16H12ClNO4/c17-12-2-1-3-14(10-12)22-13-6-4-11(5-7-13)15(19)18-8-9-21-16(18)20/h1-7,10H,8-9H2
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| InChIKey |
DQYFBMJULCWIFC-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