General Information of the Compound
| Compound ID |
CP0228722
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| Compound Name |
CHEMBL1209049
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| Formula |
C18H22N4OS
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| Molecular Weight |
342.468
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| Canonical SMILES |
CC(C)C(=O)N1C[C@H]2[C@@H](CNc3nc(cs3)-c3ccccn3)[C@H]2C1
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| InChI |
InChI=1S/C18H22N4OS/c1-11(2)17(23)22-8-13-12(14(13)9-22)7-20-18-21-16(10-24-18)15-5-3-4-6-19-15/h3-6,10-14H,7-9H2,1-2H3,(H,20,21)/t12-,13+,14-
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| InChIKey |
FJZCUFZZQCWLDG-BTTYYORXSA-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