General Information of the Compound
| Compound ID |
CP0436745
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| Compound Name |
3-Chloro-4-hydroxy-benzoic acid (4-{2-[4-(2-fluoro-phenyl)-piperazin-1-yl]-2-oxo-ethyl}-naphthalen-1-ylmethylene)-hydrazide
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| Structure |
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| Formula |
C30H26ClFN4O3
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| Molecular Weight |
545.014
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| Canonical SMILES |
Oc1ccc(cc1Cl)C(=O)N\N=C\c1ccc(CC(=O)N2CCN(CC2)c2ccccc2F)c2ccccc12
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| InChI |
InChI=1S/C30H26ClFN4O3/c31-25-17-21(11-12-28(25)37)30(39)34-33-19-22-10-9-20(23-5-1-2-6-24(22)23)18-29(38)36-15-13-35(14-16-36)27-8-4-3-7-26(27)32/h1-12,17,19,37H,13-16,18H2,(H,34,39)/b33-19+
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| InChIKey |
JZTGJWGJDGVLHX-HNSNBQBZSA-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