General Information of the Compound
| Compound ID |
CP0565377
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| Compound Name |
1-[(4-fluorophenyl)methyl]-3-[[4-(2-methylpropoxy)phenyl]methyl]-1-piperidin-4-ylurea;hydrochloride
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| Structure |
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| Formula |
C24H33ClFN3O2
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| Molecular Weight |
449.998
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| Canonical SMILES |
Cl.CC(C)COc1ccc(CNC(=O)N(Cc2ccc(F)cc2)C2CCNCC2)cc1
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| InChI |
InChI=1S/C24H32FN3O2.ClH/c1-18(2)17-30-23-9-5-19(6-10-23)15-27-24(29)28(22-11-13-26-14-12-22)16-20-3-7-21(25)8-4-20;/h3-10,18,22,26H,11-17H2,1-2H3,(H,27,29);1H
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| InChIKey |
JOIUMKQAWHAXIF-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