General Information of the Compound
| Compound ID |
CP0389459
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| Compound Name |
1-(2,5-Difluoro-phenyl)-3-[2-(4-phenyl-piperidin-1-ylmethyl)-phenyl]-urea
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| Structure |
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| Formula |
C25H25F2N3O
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| Molecular Weight |
421.491
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| Canonical SMILES |
Fc1ccc(F)c(NC(=O)Nc2ccccc2CN2CCC(CC2)c2ccccc2)c1
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| InChI |
InChI=1S/C25H25F2N3O/c26-21-10-11-22(27)24(16-21)29-25(31)28-23-9-5-4-8-20(23)17-30-14-12-19(13-15-30)18-6-2-1-3-7-18/h1-11,16,19H,12-15,17H2,(H2,28,29,31)
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| InChIKey |
RCQSDHOSNSDSFS-UHFFFAOYSA-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