General Information of the Compound
| Compound ID |
CP0460328
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| Compound Name |
3-[3-(3-Cyano-phenyl)-ureido]-2-[4-(4-fluoro-benzyl)-piperidin-1-ylmethyl]-benzamide
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| Structure |
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| Formula |
C28H28FN5O2
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| Molecular Weight |
485.563
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| Canonical SMILES |
NC(=O)c1cccc(NC(=O)Nc2cccc(c2)C#N)c1CN1CCC(Cc2ccc(F)cc2)CC1
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| InChI |
InChI=1S/C28H28FN5O2/c29-22-9-7-19(8-10-22)15-20-11-13-34(14-12-20)18-25-24(27(31)35)5-2-6-26(25)33-28(36)32-23-4-1-3-21(16-23)17-30/h1-10,16,20H,11-15,18H2,(H2,31,35)(H2,32,33,36)
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| InChIKey |
PKLRWKZFOAMODS-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