General Information of the Compound
| Compound ID |
CP0398796
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| Compound Name |
2-N-(2-adamantyl)-3-N-phenyl-1,3-thiazolidine-2,3-dicarboxamide
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| Structure |
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| Formula |
C21H27N3O2S
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| Molecular Weight |
385.533
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| Canonical SMILES |
O=C(NC1C2CC3CC(C2)CC1C3)C1SCCN1C(=O)Nc1ccccc1
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| InChI |
InChI=1S/C21H27N3O2S/c25-19(23-18-15-9-13-8-14(11-15)12-16(18)10-13)20-24(6-7-27-20)21(26)22-17-4-2-1-3-5-17/h1-5,13-16,18,20H,6-12H2,(H,22,26)(H,23,25)
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| InChIKey |
KPTBYQJZTAEZGO-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