General Information of the Compound
| Compound ID |
CP0502396
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| Compound Name |
1-{(1R,2S)-2-[(S)-3-(4-Fluoro-benzyl)-piperidin-1-ylmethyl]-cyclohexyl}-3-(1-methyl-1H-pyrazol-3-yl)-urea
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| Structure |
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| Formula |
C24H34FN5O
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| Molecular Weight |
427.568
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| Canonical SMILES |
Cn1ccc(NC(=O)N[C@@H]2CCCC[C@H]2CN2CCC[C@@H](Cc3ccc(F)cc3)C2)n1
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| InChI |
InChI=1S/C24H34FN5O/c1-29-14-12-23(28-29)27-24(31)26-22-7-3-2-6-20(22)17-30-13-4-5-19(16-30)15-18-8-10-21(25)11-9-18/h8-12,14,19-20,22H,2-7,13,15-17H2,1H3,(H2,26,27,28,31)/t19-,20-,22+/m0/s1
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| InChIKey |
GGWUCCLVCATVGO-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