General Information of the Compound
| Compound ID |
CP0504023
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| Compound Name |
3-Benzyl-thiazolidine-2-carboxylic acid adamantan-2-ylamide
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| Structure |
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| Formula |
C21H28N2OS
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| Molecular Weight |
356.535
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| Canonical SMILES |
O=C(NC1C2CC3CC(C2)CC1C3)C1SCCN1Cc1ccccc1
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| InChI |
InChI=1S/C21H28N2OS/c24-20(21-23(6-7-25-21)13-14-4-2-1-3-5-14)22-19-17-9-15-8-16(11-17)12-18(19)10-15/h1-5,15-19,21H,6-13H2,(H,22,24)
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| InChIKey |
XWWMVYHTOGAMTF-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