General Information of the Compound
| Compound ID |
CP0574268
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| Compound Name |
1-(4,5-dichlorothiophen-2-yl)sulfonyl-3-[(2E)-2-[1-(6-methoxypyridin-3-yl)-5,6-dihydro-4H-indazol-7-ylidene]ethyl]urea
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| Structure |
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| Formula |
C20H19Cl2N5O4S2
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| Molecular Weight |
528.443
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| Canonical SMILES |
COc1ccc(cn1)-n1ncc2CCC\C(=C/CNC(=O)NS(=O)(=O)c3cc(Cl)c(Cl)s3)c12
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| InChI |
InChI=1S/C20H19Cl2N5O4S2/c1-31-16-6-5-14(11-24-16)27-18-12(3-2-4-13(18)10-25-27)7-8-23-20(28)26-33(29,30)17-9-15(21)19(22)32-17/h5-7,9-11H,2-4,8H2,1H3,(H2,23,26,28)/b12-7+
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| InChIKey |
FIGGWMKRWJLMKQ-KPKJPENVSA-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