General Information of the Compound
| Compound ID |
CP0505689
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| Compound Name |
1-{(1R,2S)-2-[(S)-3-(4-Fluoro-benzyl)-piperidin-1-ylmethyl]-cyclohexyl}-3-thiazol-2-yl-urea
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| Structure |
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| Formula |
C23H31FN4OS
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| Molecular Weight |
430.593
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| Canonical SMILES |
Fc1ccc(C[C@@H]2CCCN(C[C@@H]3CCCC[C@H]3NC(=O)Nc3nccs3)C2)cc1
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| InChI |
InChI=1S/C23H31FN4OS/c24-20-9-7-17(8-10-20)14-18-4-3-12-28(15-18)16-19-5-1-2-6-21(19)26-22(29)27-23-25-11-13-30-23/h7-11,13,18-19,21H,1-6,12,14-16H2,(H2,25,26,27,29)/t18-,19-,21+/m0/s1
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| InChIKey |
ZKBWZHHPBACPCQ-IRFCIJBXSA-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