General Information of the Compound
| Compound ID |
CP0577037
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| Compound Name |
1-[3-(dimethylamino)cyclopentyl]-1-[(4-fluorophenyl)methyl]-3-[[4-(2-methylpropoxy)phenyl]methyl]urea
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| Structure |
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| Formula |
C26H36FN3O2
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| Molecular Weight |
441.591
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| Canonical SMILES |
CC(C)COc1ccc(CNC(=O)N(Cc2ccc(F)cc2)C2CCC(C2)N(C)C)cc1
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| InChI |
InChI=1S/C26H36FN3O2/c1-19(2)18-32-25-13-7-20(8-14-25)16-28-26(31)30(17-21-5-9-22(27)10-6-21)24-12-11-23(15-24)29(3)4/h5-10,13-14,19,23-24H,11-12,15-18H2,1-4H3,(H,28,31)
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| InChIKey |
RQRGLHKBMMCLMN-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