General Information of the Compound
| Compound ID |
CP0549886
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| Compound Name |
1-(4,5-dichlorothiophen-2-yl)sulfonyl-3-[(2E)-2-[1-[1-(4-fluorophenyl)piperidin-4-yl]-5,6-dihydro-4H-indazol-7-ylidene]ethyl]urea
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| Structure |
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| Formula |
C25H26Cl2FN5O3S2
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| Molecular Weight |
598.553
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| Canonical SMILES |
Fc1ccc(cc1)N1CCC(CC1)n1ncc2CCC\C(=C/CNC(=O)NS(=O)(=O)c3cc(Cl)c(Cl)s3)c12
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| InChI |
InChI=1S/C25H26Cl2FN5O3S2/c26-21-14-22(37-24(21)27)38(35,36)31-25(34)29-11-8-16-2-1-3-17-15-30-33(23(16)17)20-9-12-32(13-10-20)19-6-4-18(28)5-7-19/h4-8,14-15,20H,1-3,9-13H2,(H2,29,31,34)/b16-8+
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| InChIKey |
ILPXBLLFWSQTCF-LZYBPNLTSA-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