General Information of the Compound
| Compound ID |
CP0425254
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| Compound Name |
methyl 2-(adamantane-1-carbonylamino)-5-methyl-4-propylthiophene-3-carboxylate
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| Structure |
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| Formula |
C21H29NO3S
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| Molecular Weight |
375.534
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| Canonical SMILES |
CCCc1c(C)sc(NC(=O)C23CC4CC(CC(C4)C2)C3)c1C(=O)OC
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| InChI |
InChI=1S/C21H29NO3S/c1-4-5-16-12(2)26-18(17(16)19(23)25-3)22-20(24)21-9-13-6-14(10-21)8-15(7-13)11-21/h13-15H,4-11H2,1-3H3,(H,22,24)
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| InChIKey |
HFKADOYLMDGNMO-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