General Information of the Compound
| Compound ID |
CP0508894
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| Compound Name |
3-Chloro-4-hydroxy-benzoic acid (4-{2-[4-(4-bromo-phenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxo-ethoxy}-naphthalen-1-ylmethylene)-hydrazide
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| Structure |
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| Formula |
C31H25BrClN3O4
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| Molecular Weight |
618.915
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| Canonical SMILES |
Oc1ccc(cc1Cl)C(=O)N\N=C\c1ccc(OCC(=O)N2CCC(=CC2)c2ccc(Br)cc2)c2ccccc12
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| InChI |
InChI=1S/C31H25BrClN3O4/c32-24-9-5-20(6-10-24)21-13-15-36(16-14-21)30(38)19-40-29-12-8-23(25-3-1-2-4-26(25)29)18-34-35-31(39)22-7-11-28(37)27(33)17-22/h1-13,17-18,37H,14-16,19H2,(H,35,39)/b34-18+
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| InChIKey |
FHRAXOLBKQYCAJ-FABQOPTDSA-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