General Information of the Compound
| Compound ID |
CP0453787
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| Compound Name |
CHEMBL1209346
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| Formula |
C22H24N4S
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| Molecular Weight |
376.529
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| Canonical SMILES |
CC(N1C[C@H]2[C@@H](CNc3nc(cs3)-c3ccccn3)[C@H]2C1)c1ccccc1
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| InChI |
InChI=1S/C22H24N4S/c1-15(16-7-3-2-4-8-16)26-12-18-17(19(18)13-26)11-24-22-25-21(14-27-22)20-9-5-6-10-23-20/h2-10,14-15,17-19H,11-13H2,1H3,(H,24,25)/t15?,17-,18+,19-
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| InChIKey |
MBBQKTYMBAHBBL-BSUDQKQGSA-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