General Information of the Compound
| Compound ID |
CP0553221
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| Compound Name |
1-[(E)-2-[4-(ethylsulfanylmethyl)-1,3-thiazol-2-yl]ethenyl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea
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| Structure |
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| Formula |
C21H25N3O3S3
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| Molecular Weight |
463.65
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| Canonical SMILES |
CCSCc1csc(\C=C\S(=O)(=O)NC(=O)Nc2c3CCCc3cc3CCCc23)n1
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| InChI |
InChI=1S/C21H25N3O3S3/c1-2-28-12-16-13-29-19(22-16)9-10-30(26,27)24-21(25)23-20-17-7-3-5-14(17)11-15-6-4-8-18(15)20/h9-11,13H,2-8,12H2,1H3,(H2,23,24,25)/b10-9+
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| InChIKey |
OYITZGHTIKFAHB-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