General Information of the Compound
| Compound ID |
CP0565563
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| Compound Name |
1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(E)-2-[4-(2-hydroxypropan-2-yl)-1,3-thiazol-2-yl]ethenyl]sulfonylurea
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| Structure |
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| Formula |
C21H25N3O4S2
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| Molecular Weight |
447.582
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| Canonical SMILES |
CC(C)(O)c1csc(\C=C\S(=O)(=O)NC(=O)Nc2c3CCCc3cc3CCCc23)n1
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| InChI |
InChI=1S/C21H25N3O4S2/c1-21(2,26)17-12-29-18(22-17)9-10-30(27,28)24-20(25)23-19-15-7-3-5-13(15)11-14-6-4-8-16(14)19/h9-12,26H,3-8H2,1-2H3,(H2,23,24,25)/b10-9+
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| InChIKey |
BYXBXRURHOGHOG-MDZDMXLPSA-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