General Information of the Compound
| Compound ID |
CP0575403
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| Compound Name |
ATX inhibitor 9
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| Structure |
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| Formula |
C16H18ClN3OS
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| Molecular Weight |
335.86
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| Canonical SMILES |
CCN1CCN(CC1)C1=NC(=O)\C(S1)=C\c1ccc(Cl)cc1
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| InChI |
InChI=1S/C16H18ClN3OS/c1-2-19-7-9-20(10-8-19)16-18-15(21)14(22-16)11-12-3-5-13(17)6-4-12/h3-6,11H,2,7-10H2,1H3/b14-11-
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| InChIKey |
LXUPTIFZAMWLKQ-KAMYIIQDSA-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