General Information of the Compound
| Compound ID |
CP0527657
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| Compound Name |
3-(4-Methoxy-benzenesulfonyl)-thiazolidine-2-carboxylic acid adamantan-2-ylamide
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| Structure |
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| Formula |
C21H28N2O4S2
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| Molecular Weight |
436.599
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| Canonical SMILES |
COc1ccc(cc1)S(=O)(=O)N1CCSC1C(=O)NC1C2CC3CC(C2)CC1C3
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| InChI |
InChI=1S/C21H28N2O4S2/c1-27-17-2-4-18(5-3-17)29(25,26)23-6-7-28-21(23)20(24)22-19-15-9-13-8-14(11-15)12-16(19)10-13/h2-5,13-16,19,21H,6-12H2,1H3,(H,22,24)
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| InChIKey |
PLOHHELARDKNLH-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