General Information of the Compound
| Compound ID |
CP0030363
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| Compound Name |
(+/-)-N-[5-[[[5-(1,1-Dimethylethyl)-2-oxazolyl]methyl]thio]-2-thiazolyl]-3-piperidinecarboxamide
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| Structure |
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| Formula |
C17H24N4O2S2
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| Molecular Weight |
380.539
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| Canonical SMILES |
CC(C)(C)c1cnc(CSc2cnc(NC(=O)C3CCCNC3)s2)o1
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| InChI |
InChI=1S/C17H24N4O2S2/c1-17(2,3)12-8-19-13(23-12)10-24-14-9-20-16(25-14)21-15(22)11-5-4-6-18-7-11/h8-9,11,18H,4-7,10H2,1-3H3,(H,20,21,22)
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| InChIKey |
USAKOZCUIYTREA-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