General Information of the Compound
| Compound ID |
CP0527654
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| Compound Name |
3-Chloro-4-hydroxy-benzoic acid [4-(4-chloro-benzylamino)-naphthalen-1-ylmethylene]-hydrazide
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| Structure |
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| Formula |
C25H19Cl2N3O2
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| Molecular Weight |
464.352
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| Canonical SMILES |
Oc1ccc(cc1Cl)C(=O)N\N=C\c1ccc(NCc2ccc(Cl)cc2)c2ccccc12
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| InChI |
InChI=1S/C25H19Cl2N3O2/c26-19-9-5-16(6-10-19)14-28-23-11-7-18(20-3-1-2-4-21(20)23)15-29-30-25(32)17-8-12-24(31)22(27)13-17/h1-13,15,28,31H,14H2,(H,30,32)/b29-15+
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| InChIKey |
FEJMYYJULFRMCR-WKULSOCRSA-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