General Information of the Compound
| Compound ID |
CP0479651
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| Compound Name |
1-[(4-fluorophenyl)methyl]-3-[[4-(2-methylpropoxy)phenyl]methyl]-1-[1-(propan-2-ylcarbamothioyl)piperidin-4-yl]urea
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| Structure |
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| Formula |
C28H39FN4O2S
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| Molecular Weight |
514.711
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| Canonical SMILES |
CC(C)COc1ccc(CNC(=O)N(Cc2ccc(F)cc2)C2CCN(CC2)C(=S)NC(C)C)cc1
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| InChI |
InChI=1S/C28H39FN4O2S/c1-20(2)19-35-26-11-7-22(8-12-26)17-30-27(34)33(18-23-5-9-24(29)10-6-23)25-13-15-32(16-14-25)28(36)31-21(3)4/h5-12,20-21,25H,13-19H2,1-4H3,(H,30,34)(H,31,36)
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| InChIKey |
TWTBOUTVGGWJNQ-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