General Information of the Compound
| Compound ID |
CP0496065
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| Compound Name |
1-{(1R,2S)-2-[(S)-3-(4-Fluoro-benzyl)-piperidin-1-ylmethyl]-cyclohexyl}-3-[1,3,4]thiadiazol-2-yl-urea
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| Structure |
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| Formula |
C22H30FN5OS
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| Molecular Weight |
431.581
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| Canonical SMILES |
Fc1ccc(C[C@@H]2CCCN(C[C@@H]3CCCC[C@H]3NC(=O)Nc3nncs3)C2)cc1
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| InChI |
InChI=1S/C22H30FN5OS/c23-19-9-7-16(8-10-19)12-17-4-3-11-28(13-17)14-18-5-1-2-6-20(18)25-21(29)26-22-27-24-15-30-22/h7-10,15,17-18,20H,1-6,11-14H2,(H2,25,26,27,29)/t17-,18-,20+/m0/s1
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| InChIKey |
NOJKOZWXECFWRZ-CMKODMSKSA-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