General Information of the Compound
| Compound ID |
CP0035306
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| Compound Name |
2-amino-1-(4-(5-(2-(6-bromopyridin-2-ylamino)thiazol-5-ylthio)-2-methylbenzoyl)piperazin-1-yl)ethanone
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| Structure |
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| Formula |
C22H23BrN6O2S2
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| Molecular Weight |
547.504
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| Canonical SMILES |
Cc1ccc(Sc2cnc(Nc3cccc(Br)n3)s2)cc1C(=O)N1CCN(CC1)C(=O)CN
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| InChI |
InChI=1S/C22H23BrN6O2S2/c1-14-5-6-15(11-16(14)21(31)29-9-7-28(8-10-29)19(30)12-24)32-20-13-25-22(33-20)27-18-4-2-3-17(23)26-18/h2-6,11,13H,7-10,12,24H2,1H3,(H,25,26,27)
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| InChIKey |
KVPNOQAXVUMKFJ-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