General Information of the Compound
| Compound ID |
CP0903028
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| Compound Name |
1-(4-amino-2,6-diisopropylphenyl)-3-((4-(3-fluorophenyl)-1-(2-methoxyphenyl)piperidin-4-yl)methyl)urea
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| Structure |
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| Formula |
C32H43Cl2FN4O2
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| Molecular Weight |
605.626
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| Canonical SMILES |
COc1ccccc1N1CCC(CNC(=O)Nc2c(C(C)C)cc(N)cc2C(C)C)(c2cccc(F)c2)CC1.Cl.Cl
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| InChI |
InChI=1S/C32H41FN4O2.2ClH/c1-21(2)26-18-25(34)19-27(22(3)4)30(26)36-31(38)35-20-32(23-9-8-10-24(33)17-23)13-15-37(16-14-32)28-11-6-7-12-29(28)39-5;;/h6-12,17-19,21-22H,13-16,20,34H2,1-5H3,(H2,35,36,38);2*1H
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| InChIKey |
SWDFJZZKHOKPFX-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