General Information of the Compound
| Compound ID |
CP0495335
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| Compound Name |
1-{(1R,2S)-2-[(S)-3-(4-Fluoro-benzyl)-piperidin-1-ylmethyl]-cyclohexyl}-3-(5-methyl-isoxazol-3-yl)-urea
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| Structure |
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| Formula |
C24H33FN4O2
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| Molecular Weight |
428.552
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| Canonical SMILES |
Cc1cc(NC(=O)N[C@@H]2CCCC[C@H]2CN2CCC[C@@H](Cc3ccc(F)cc3)C2)no1
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| InChI |
InChI=1S/C24H33FN4O2/c1-17-13-23(28-31-17)27-24(30)26-22-7-3-2-6-20(22)16-29-12-4-5-19(15-29)14-18-8-10-21(25)11-9-18/h8-11,13,19-20,22H,2-7,12,14-16H2,1H3,(H2,26,27,28,30)/t19-,20-,22+/m0/s1
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| InChIKey |
DWZGXOWWEDECCU-JAXLGGSGSA-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