General Information of the Compound
| Compound ID |
CP0918831
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| Compound Name |
4-{N'-[3-tert-Butyl-1-(3,4-dimethyl-phenyl)-5-oxo-1,5-dihydro-pyrazol-4-ylidene]-hydrazino}-3-hydroxy-naphthalene-1-sulfonic acid
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| Formula |
C25H26N4O5S
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| Molecular Weight |
494.573
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| Canonical SMILES |
Cc1ccc(-n2[nH]c(C(C)(C)C)c(/N=N/c3c(O)cc(S(=O)(=O)O)c4ccccc34)c2=O)cc1C
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| InChI |
InChI=1S/C25H26N4O5S/c1-14-10-11-16(12-15(14)2)29-24(31)22(23(28-29)25(3,4)5)27-26-21-18-9-7-6-8-17(18)20(13-19(21)30)35(32,33)34/h6-13,28,30H,1-5H3,(H,32,33,34)/b27-26+
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| InChIKey |
RSLRCURROFTBOY-CYYJNZCTSA-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