General Information of the Compound
| Compound ID |
CP0467464
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| Compound Name |
3-Chloro-4-hydroxy-benzoic acid (4-{2-[4-(4-chloro-benzyl)-piperazin-1-yl]-2-oxo-ethyl}-naphthalen-1-ylmethylene)-hydrazide
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| Structure |
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| Formula |
C31H28Cl2N4O3
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| Molecular Weight |
575.496
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| Canonical SMILES |
Oc1ccc(cc1Cl)C(=O)N\N=C\c1ccc(CC(=O)N2CCN(Cc3ccc(Cl)cc3)CC2)c2ccccc12
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| InChI |
InChI=1S/C31H28Cl2N4O3/c32-25-10-5-21(6-11-25)20-36-13-15-37(16-14-36)30(39)18-22-7-8-24(27-4-2-1-3-26(22)27)19-34-35-31(40)23-9-12-29(38)28(33)17-23/h1-12,17,19,38H,13-16,18,20H2,(H,35,40)/b34-19+
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| InChIKey |
ZASDJLSCTCHCRI-ALQBTCKLSA-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