General Information of the Compound
| Compound ID |
CP0511856
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| Compound Name |
1-(1,3-benzothiazol-6-yl)-3-[(1R,2S)-2-[[(3S)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]cyclohexyl]urea
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| Structure |
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| Formula |
C27H33FN4OS
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| Molecular Weight |
480.653
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| Canonical SMILES |
Fc1ccc(C[C@@H]2CCCN(C[C@@H]3CCCC[C@H]3NC(=O)Nc3ccc4ncsc4c3)C2)cc1
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| InChI |
InChI=1S/C27H33FN4OS/c28-22-9-7-19(8-10-22)14-20-4-3-13-32(16-20)17-21-5-1-2-6-24(21)31-27(33)30-23-11-12-25-26(15-23)34-18-29-25/h7-12,15,18,20-21,24H,1-6,13-14,16-17H2,(H2,30,31,33)/t20-,21-,24+/m0/s1
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| InChIKey |
GUTLQOKVJCDGEX-AWRGLXIESA-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