General Information of the Compound
| Compound ID |
CP0578283
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| Compound Name |
1-(1-benzothiophen-2-ylsulfonyl)-3-[(2Z)-2-[1-[(2,4-dichlorophenyl)methyl]-5,6-dihydro-4H-indazol-7-ylidene]-2-fluoroethyl]urea
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| Structure |
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| Formula |
C25H21Cl2FN4O3S2
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| Molecular Weight |
579.506
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| Canonical SMILES |
F\C(CNC(=O)NS(=O)(=O)c1cc2ccccc2s1)=C1\CCCc2cnn(Cc3ccc(Cl)cc3Cl)c12
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| InChI |
InChI=1S/C25H21Cl2FN4O3S2/c26-18-9-8-17(20(27)11-18)14-32-24-16(12-30-32)5-3-6-19(24)21(28)13-29-25(33)31-37(34,35)23-10-15-4-1-2-7-22(15)36-23/h1-2,4,7-12H,3,5-6,13-14H2,(H2,29,31,33)/b21-19-
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| InChIKey |
MAMSRTKAOOMDOJ-VZCXRCSSSA-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