General Information of the Compound
| Compound ID |
CP0495246
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| Compound Name |
1-{(1R,2S)-2-[(S)-3-(4-Fluoro-benzyl)-piperidin-1-ylmethyl]-cyclohexyl}-3-[3-(5-methyl-tetrazol-1-yl)-phenyl]-urea
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| Structure |
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| Formula |
C28H36FN7O
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| Molecular Weight |
505.642
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| Canonical SMILES |
Cc1nnnn1-c1cccc(NC(=O)N[C@@H]2CCCC[C@H]2CN2CCC[C@@H](Cc3ccc(F)cc3)C2)c1
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| InChI |
InChI=1S/C28H36FN7O/c1-20-32-33-34-36(20)26-9-4-8-25(17-26)30-28(37)31-27-10-3-2-7-23(27)19-35-15-5-6-22(18-35)16-21-11-13-24(29)14-12-21/h4,8-9,11-14,17,22-23,27H,2-3,5-7,10,15-16,18-19H2,1H3,(H2,30,31,37)/t22-,23-,27+/m0/s1
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| InChIKey |
QLTHBTHVYYXPHB-VMODYCNZSA-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