General Information of the Compound
| Compound ID |
CP0424661
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| Compound Name |
2-[1-(1,3-benzothiazol-2-ylmethyl)-5'-chloro-3-methyl-2,2',5-trioxospiro[imidazolidine-4,3'-indole]-1'-yl]acetic acid
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| Structure |
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| Formula |
C21H15ClN4O5S
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| Molecular Weight |
470.894
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| Canonical SMILES |
CN1C(=O)N(Cc2nc3ccccc3s2)C(=O)C11C(=O)N(CC(O)=O)c2ccc(Cl)cc12
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| InChI |
InChI=1S/C21H15ClN4O5S/c1-24-20(31)26(9-16-23-13-4-2-3-5-15(13)32-16)19(30)21(24)12-8-11(22)6-7-14(12)25(18(21)29)10-17(27)28/h2-8H,9-10H2,1H3,(H,27,28)
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| InChIKey |
ARRFELTXNOKLHD-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