General Information of the Compound
| Compound ID |
CP0540909
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| Compound Name |
3-[3-(3-Cyano-phenyl)-ureido]-2-[4-(4-fluoro-benzyl)-piperidin-1-ylmethyl]-N-methyl-benzamide
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| Structure |
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| Formula |
C29H30FN5O2
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| Molecular Weight |
499.59
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| Canonical SMILES |
CNC(=O)c1cccc(NC(=O)Nc2cccc(c2)C#N)c1CN1CCC(Cc2ccc(F)cc2)CC1
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| InChI |
InChI=1S/C29H30FN5O2/c1-32-28(36)25-6-3-7-27(34-29(37)33-24-5-2-4-22(17-24)18-31)26(25)19-35-14-12-21(13-15-35)16-20-8-10-23(30)11-9-20/h2-11,17,21H,12-16,19H2,1H3,(H,32,36)(H2,33,34,37)
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| InChIKey |
YXOROSQPTDHFJJ-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