General Information of the Compound
| Compound ID |
CP0379967
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| Compound Name |
3-(Toluene-4-sulfonyl)-thiazolidine-2-carboxylic acid adamantan-2-ylamide
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| Structure |
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| Formula |
C21H28N2O3S2
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| Molecular Weight |
420.6
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| Canonical SMILES |
Cc1ccc(cc1)S(=O)(=O)N1CCSC1C(=O)NC1C2CC3CC(C2)CC1C3
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| InChI |
InChI=1S/C21H28N2O3S2/c1-13-2-4-18(5-3-13)28(25,26)23-6-7-27-21(23)20(24)22-19-16-9-14-8-15(11-16)12-17(19)10-14/h2-5,14-17,19,21H,6-12H2,1H3,(H,22,24)
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| InChIKey |
KSPSGHSDAXXKGA-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