General Information of the Compound
| Compound ID |
CP0390959
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| Compound Name |
1-(2-Fluoro-phenyl)-3-[1-(1-methyl-1H-benzoimidazol-2-ylmethyl)-4-(4-pyridin-3-yl-phenyl)-piperidin-4-ylmethyl]-urea
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| Structure |
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| Formula |
C33H33FN6O
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| Molecular Weight |
548.666
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| Canonical SMILES |
Cn1c(CN2CCC(CNC(=O)Nc3ccccc3F)(CC2)c2ccc(cc2)-c2cccnc2)nc2ccccc12
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| InChI |
InChI=1S/C33H33FN6O/c1-39-30-11-5-4-10-29(30)37-31(39)22-40-19-16-33(17-20-40,23-36-32(41)38-28-9-3-2-8-27(28)34)26-14-12-24(13-15-26)25-7-6-18-35-21-25/h2-15,18,21H,16-17,19-20,22-23H2,1H3,(H2,36,38,41)
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| InChIKey |
WOJQTUNMSZROGP-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