General Information of the Compound
| Compound ID |
CP0437619
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| Compound Name |
4-[(3-Chloro-4-hydroxy-benzoyl)-hydrazonomethyl]-naphthalene-1-carboxylic acid [2-(4-chloro-phenyl)-ethyl]-amide
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| Structure |
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| Formula |
C27H21Cl2N3O3
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| Molecular Weight |
506.389
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| Canonical SMILES |
Oc1ccc(cc1Cl)C(=O)N\N=C\c1ccc(C(=O)NCCc2ccc(Cl)cc2)c2ccccc12
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| InChI |
InChI=1S/C27H21Cl2N3O3/c28-20-9-5-17(6-10-20)13-14-30-27(35)23-11-7-19(21-3-1-2-4-22(21)23)16-31-32-26(34)18-8-12-25(33)24(29)15-18/h1-12,15-16,33H,13-14H2,(H,30,35)(H,32,34)/b31-16+
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| InChIKey |
LFSSMXLRGWMGQP-WCMJOSRZSA-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