General Information of the Compound
| Compound ID |
CP0570752
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| Compound Name |
1-[[7-(dimethylamino)-2,1,3-benzoxadiazol-4-yl]sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea
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| Structure |
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| Formula |
C21H23N5O4S
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| Molecular Weight |
441.513
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| Canonical SMILES |
CN(C)c1ccc(c2nonc12)S(=O)(=O)NC(=O)Nc1c2CCCc2cc2CCCc12
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| InChI |
InChI=1S/C21H23N5O4S/c1-26(2)16-9-10-17(20-19(16)23-30-24-20)31(28,29)25-21(27)22-18-14-7-3-5-12(14)11-13-6-4-8-15(13)18/h9-11H,3-8H2,1-2H3,(H2,22,25,27)
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| InChIKey |
AQYRGKTXMOCZAM-UHFFFAOYSA-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