General Information of the Compound
| Compound ID |
CP0196339
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| Compound Name |
1,4,5,6-Tetrahydro-cyclopentapyrazole-3-carboxylic acid [1-thiophen-2-yl-eth-(E)-ylidene]-hydrazide
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| Structure |
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| Formula |
C13H14N4OS
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| Molecular Weight |
274.349
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| Canonical SMILES |
CC(=NNC(=O)c1[nH]nc2CCCc12)c1cccs1
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| InChI |
InChI=1S/C13H14N4OS/c1-8(11-6-3-7-19-11)14-17-13(18)12-9-4-2-5-10(9)15-16-12/h3,6-7H,2,4-5H2,1H3,(H,15,16)(H,17,18)/b14-8+
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| InChIKey |
CEFALOFHYKVXTJ-RIYZIHGNSA-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
Protein ID: PT06109, Geminin
Protein ID: PT06124, Paired box protein Pax-8