General Information of the Compound
| Compound ID |
CP0515732
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| Compound Name |
3-chloro-4-hydroxy-N-[(E)-[4-[[4-(trifluoromethoxy)phenyl]methylsulfonylmethyl]naphthalen-1-yl]methylideneamino]benzamide
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| Structure |
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| Formula |
C27H20ClF3N2O5S
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| Molecular Weight |
576.98
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| Canonical SMILES |
Oc1ccc(cc1Cl)C(=O)N\N=C\c1ccc(CS(=O)(=O)Cc2ccc(OC(F)(F)F)cc2)c2ccccc12
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| InChI |
InChI=1S/C27H20ClF3N2O5S/c28-24-13-18(9-12-25(24)34)26(35)33-32-14-19-7-8-20(23-4-2-1-3-22(19)23)16-39(36,37)15-17-5-10-21(11-6-17)38-27(29,30)31/h1-14,34H,15-16H2,(H,33,35)/b32-14+
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| InChIKey |
CKWYFXYUZHBWET-HIWRWHBISA-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