General Information of the Compound
| Compound ID |
CP0432380
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| Compound Name |
3-Chloro-4-hydroxy-benzoic acid {4-[2-(4-benzyl-piperazin-1-yl)-2-oxo-ethyl]-naphthalen-1-ylmethylene}-hydrazide
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| Structure |
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| Formula |
C31H29ClN4O3
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| Molecular Weight |
541.051
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| Canonical SMILES |
Oc1ccc(cc1Cl)C(=O)N\N=C\c1ccc(CC(=O)N2CCN(Cc3ccccc3)CC2)c2ccccc12
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| InChI |
InChI=1S/C31H29ClN4O3/c32-28-18-24(12-13-29(28)37)31(39)34-33-20-25-11-10-23(26-8-4-5-9-27(25)26)19-30(38)36-16-14-35(15-17-36)21-22-6-2-1-3-7-22/h1-13,18,20,37H,14-17,19,21H2,(H,34,39)/b33-20+
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| InChIKey |
OXNFBAQEROAJOS-FMFFXOCNSA-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