General Information of the Compound
| Compound ID |
CP0539277
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| Compound Name |
1-(3,4-dimethoxyphenyl)-1-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-3-[3-(5-methylimidazol-1-yl)propyl]urea
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| Structure |
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| Formula |
C28H36FN5O3
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| Molecular Weight |
509.626
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| Canonical SMILES |
COc1ccc(cc1OC)N(C1CCN(Cc2ccc(F)cc2)CC1)C(=O)NCCCn1cncc1C
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| InChI |
InChI=1S/C28H36FN5O3/c1-21-18-30-20-33(21)14-4-13-31-28(35)34(25-9-10-26(36-2)27(17-25)37-3)24-11-15-32(16-12-24)19-22-5-7-23(29)8-6-22/h5-10,17-18,20,24H,4,11-16,19H2,1-3H3,(H,31,35)
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| InChIKey |
UYNAZKOUAWHVRU-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