General Information of the Compound
| Compound ID |
CP0862968
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| Compound Name |
1-(4-tert-Butyl-phenyl)-4-[(2-hydroxy-4-sulfo-naphthalen-1-yl)-hydrazono]-5-oxo-4,5-dihydro-1H-pyrazole-3-carboxylic acid tert-butyl ester
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| Formula |
C28H30N4O7S
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| Molecular Weight |
566.636
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| Canonical SMILES |
CC(C)(C)OC(=O)c1[nH]n(-c2ccc(C(C)(C)C)cc2)c(=O)c1/N=N/c1c(O)cc(S(=O)(=O)O)c2ccccc12
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| InChI |
InChI=1S/C28H30N4O7S/c1-27(2,3)16-11-13-17(14-12-16)32-25(34)23(24(31-32)26(35)39-28(4,5)6)30-29-22-19-10-8-7-9-18(19)21(15-20(22)33)40(36,37)38/h7-15,31,33H,1-6H3,(H,36,37,38)/b30-29+
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| InChIKey |
HVIVPGDDTSYQQR-QVIHXGFCSA-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