General Information of the Compound
| Compound ID |
CP0505938
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| Compound Name |
CHEMBL1208996
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| Formula |
C16H18N4OS
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| Molecular Weight |
314.414
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| Canonical SMILES |
CC(=O)N1C[C@H]2[C@@H](CNc3nc(cs3)-c3ccccn3)[C@H]2C1
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| InChI |
InChI=1S/C16H18N4OS/c1-10(21)20-7-12-11(13(12)8-20)6-18-16-19-15(9-22-16)14-4-2-3-5-17-14/h2-5,9,11-13H,6-8H2,1H3,(H,18,19)/t11-,12+,13-
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| InChIKey |
RETPCFPYNHCPCV-CLLJXQQHSA-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