General Information of the Compound
| Compound ID |
CP0412159
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| Compound Name |
ATX inhibitor 10
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| Structure |
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| Formula |
C15H15Cl2N3OS
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| Molecular Weight |
356.278
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| Canonical SMILES |
CN1CCN(CC1)C1=NC(=O)\C(S1)=C\c1ccc(Cl)c(Cl)c1
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| InChI |
InChI=1S/C15H15Cl2N3OS/c1-19-4-6-20(7-5-19)15-18-14(21)13(22-15)9-10-2-3-11(16)12(17)8-10/h2-3,8-9H,4-7H2,1H3/b13-9-
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| InChIKey |
BSGZTQWZIBOTMJ-LCYFTJDESA-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