General Information of the Compound
| Compound ID |
CP0492454
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| Compound Name |
3-Cyano-4-hydroxy-benzoic acid {4-[4-(4-chloro-benzyl)-piperazine-1-carbonyl]-naphthalen-1-ylmethylene}-hydrazide
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| Structure |
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| Formula |
C31H26ClN5O3
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| Molecular Weight |
552.034
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| Canonical SMILES |
Oc1ccc(cc1C#N)C(=O)N\N=C\c1ccc(C(=O)N2CCN(Cc3ccc(Cl)cc3)CC2)c2ccccc12
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| InChI |
InChI=1S/C31H26ClN5O3/c32-25-9-5-21(6-10-25)20-36-13-15-37(16-14-36)31(40)28-11-7-23(26-3-1-2-4-27(26)28)19-34-35-30(39)22-8-12-29(38)24(17-22)18-33/h1-12,17,19,38H,13-16,20H2,(H,35,39)/b34-19+
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| InChIKey |
HLSGRNJKJJOHAN-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