General Information of the Compound
| Compound ID |
CP0545086
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| Compound Name |
N-(quinolin-8-ylcarbamothioyl)adamantane-1-carboxamide
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| Structure |
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| Formula |
C21H23N3OS
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| Molecular Weight |
365.502
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| Canonical SMILES |
O=C(NC(=S)Nc1cccc2cccnc12)C12CC3CC(CC(C3)C1)C2
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| InChI |
InChI=1S/C21H23N3OS/c25-19(21-10-13-7-14(11-21)9-15(8-13)12-21)24-20(26)23-17-5-1-3-16-4-2-6-22-18(16)17/h1-6,13-15H,7-12H2,(H2,23,24,25,26)
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| InChIKey |
BBBBWEPMETWDGH-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