General Information of the Compound
| Compound ID |
CP0538538
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| Compound Name |
1-[(E)-2-(1,3-benzothiazol-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 |
C22H21N3O3S2
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| Molecular Weight |
439.562
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| Canonical SMILES |
O=C(Nc1c2CCCc2cc2CCCc12)NS(=O)(=O)\C=C\c1nc2ccccc2s1
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| InChI |
InChI=1S/C22H21N3O3S2/c26-22(24-21-16-7-3-5-14(16)13-15-6-4-8-17(15)21)25-30(27,28)12-11-20-23-18-9-1-2-10-19(18)29-20/h1-2,9-13H,3-8H2,(H2,24,25,26)/b12-11+
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| InChIKey |
ZGHYQRRPXRUMCT-VAWYXSNFSA-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