General Information of the Compound
| Compound ID |
CP0378866
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| Compound Name |
1-(4-Chloro-benzothiazol-2-yl)-3-{(1R,2S)-2-[(S)-3-(4-fluoro-benzyl)-piperidin-1-ylmethyl]-cyclohexyl}-urea
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| Structure |
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| Formula |
C27H32ClFN4OS
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| Molecular Weight |
515.098
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| Canonical SMILES |
Fc1ccc(C[C@@H]2CCCN(C[C@@H]3CCCC[C@H]3NC(=O)Nc3nc4c(Cl)cccc4s3)C2)cc1
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| InChI |
InChI=1S/C27H32ClFN4OS/c28-22-7-3-9-24-25(22)31-27(35-24)32-26(34)30-23-8-2-1-6-20(23)17-33-14-4-5-19(16-33)15-18-10-12-21(29)13-11-18/h3,7,9-13,19-20,23H,1-2,4-6,8,14-17H2,(H2,30,31,32,34)/t19-,20-,23+/m0/s1
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| InChIKey |
CCWUVBRDCQPCJX-SXWKCWPCSA-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