General Information of the Compound
| Compound ID |
CP0574266
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| Compound Name |
1-(1-benzothiophen-2-ylsulfonyl)-3-[(2E)-2-[1-[(2,4-dichlorophenyl)methyl]-5,6-dihydro-4H-indazol-7-ylidene]ethyl]urea
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| Structure |
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| Formula |
C25H22Cl2N4O3S2
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| Molecular Weight |
561.516
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| Canonical SMILES |
Clc1ccc(Cn2ncc3CCC\C(=C/CNC(=O)NS(=O)(=O)c4cc5ccccc5s4)c23)c(Cl)c1
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| InChI |
InChI=1S/C25H22Cl2N4O3S2/c26-20-9-8-19(21(27)13-20)15-31-24-16(5-3-6-18(24)14-29-31)10-11-28-25(32)30-36(33,34)23-12-17-4-1-2-7-22(17)35-23/h1-2,4,7-10,12-14H,3,5-6,11,15H2,(H2,28,30,32)/b16-10+
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| InChIKey |
KNIDTDNXYIDWRH-MHWRWJLKSA-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