General Information of the Compound
| Compound ID |
CP0469863
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| Compound Name |
3-[5-[(Z)-(2-cyclohexyl-5-imino-7-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene)methyl]furan-2-yl]benzoic acid
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| Structure |
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| Formula |
C23H20N4O4S
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| Molecular Weight |
448.504
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| Canonical SMILES |
OC(=O)c1cccc(c1)-c1ccc(\C=C2/C(=O)N=C3SC(=NN3C2=N)C2CCCCC2)o1
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| InChI |
InChI=1S/C23H20N4O4S/c24-19-17(12-16-9-10-18(31-16)14-7-4-8-15(11-14)22(29)30)20(28)25-23-27(19)26-21(32-23)13-5-2-1-3-6-13/h4,7-13,24H,1-3,5-6H2,(H,29,30)/b17-12-,24-19?
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| InChIKey |
GPCYKHCHVIFLKK-XKVLWOBQSA-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: PT07001, ATP-dependent RNA helicase DHX29
Protein ID: PT06173, U5 small nuclear ribonucleoprotein 200 kDa helicase