General Information of the Compound
| Compound ID |
CP0450736
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| Compound Name |
2-[(S)-1-(4-Fluorophenyl)ethylamino]-5-(1-hydroxycyclobutyl)-5-methylthiazol-4(5H)-one
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| Structure |
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| Formula |
C16H19FN2O2S
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| Molecular Weight |
322.405
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| Canonical SMILES |
C[C@H](NC1=NC(=O)C(C)(S1)C1(O)CCC1)c1ccc(F)cc1
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| InChI |
InChI=1S/C16H19FN2O2S/c1-10(11-4-6-12(17)7-5-11)18-14-19-13(20)15(2,22-14)16(21)8-3-9-16/h4-7,10,21H,3,8-9H2,1-2H3,(H,18,19,20)/t10-,15?/m0/s1
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| InChIKey |
ITBTWAJBZMDXOD-MYHCZTBNSA-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
Protein ID: PT01107, 11-beta-hydroxysteroid dehydrogenase 1
Protein ID: PT01108, 11-beta-hydroxysteroid dehydrogenase type 2