General Information of the Compound
| Compound ID |
CP0426906
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| Compound Name |
8-[2-(2-methyl-propane-2-sulfonylmethyl)-thiazol-4-yl]-1,2,3,11-tetrahydro-5,11-diaza-benzo[a]trindene-4,6-dione
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| Structure |
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| Formula |
C25H23N3O4S2
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| Molecular Weight |
493.61
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| Canonical SMILES |
CC(C)(C)S(=O)(=O)Cc1nc(cs1)-c1ccc2[nH]c3c4CCCc4c4C(=O)NC(=O)c4c3c2c1
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| InChI |
InChI=1S/C25H23N3O4S2/c1-25(2,3)34(31,32)11-18-26-17(10-33-18)12-7-8-16-15(9-12)19-21-20(23(29)28-24(21)30)13-5-4-6-14(13)22(19)27-16/h7-10,27H,4-6,11H2,1-3H3,(H,28,29,30)
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| InChIKey |
BIHFJBJRYKIFEA-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