General Information of the Compound
| Compound ID |
CP0213428
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| Compound Name |
Butyl-carbamic acid 2-phenyl-5-propyl-thiazol-4-yl ester
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| Structure |
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| Formula |
C17H22N2O2S
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| Molecular Weight |
318.442
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| Canonical SMILES |
CCCCNC(=O)Oc1nc(sc1CCC)-c1ccccc1
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| InChI |
InChI=1S/C17H22N2O2S/c1-3-5-12-18-17(20)21-15-14(9-4-2)22-16(19-15)13-10-7-6-8-11-13/h6-8,10-11H,3-5,9,12H2,1-2H3,(H,18,20)
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| InChIKey |
HTSCNLBBAYAGOO-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