General Information of the Compound
| Compound ID |
CP0464831
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| Compound Name |
3-Cyano-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 |
C32H25BrN4O4
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| Molecular Weight |
609.48
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| Canonical SMILES |
Oc1ccc(cc1C#N)C(=O)N\N=C\c1ccc(OCC(=O)N2CCC(=CC2)c2ccc(Br)cc2)c2ccccc12
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| InChI |
InChI=1S/C32H25BrN4O4/c33-26-9-5-21(6-10-26)22-13-15-37(16-14-22)31(39)20-41-30-12-8-24(27-3-1-2-4-28(27)30)19-35-36-32(40)23-7-11-29(38)25(17-23)18-34/h1-13,17,19,38H,14-16,20H2,(H,36,40)/b35-19+
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| InChIKey |
PULPKDXNPLLVDT-XZYGTATASA-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