General Information of the Compound
| Compound ID |
CP0427449
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| Compound Name |
3-(3-chloro-4-fluorophenyl)-1-(4-(2-((dimethylamino)methyl)thiazol-5-yl)cyclohex-3-enyl)-1-(2-(pyrrolidin-1-yl)ethyl)urea
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| Structure |
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| Formula |
C25H33ClFN5OS
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| Molecular Weight |
506.091
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| Canonical SMILES |
CN(C)Cc1ncc(s1)C1=CCC(CC1)N(CCN1CCCC1)C(=O)Nc1ccc(F)c(Cl)c1
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| InChI |
InChI=1S/C25H33ClFN5OS/c1-30(2)17-24-28-16-23(34-24)18-5-8-20(9-6-18)32(14-13-31-11-3-4-12-31)25(33)29-19-7-10-22(27)21(26)15-19/h5,7,10,15-16,20H,3-4,6,8-9,11-14,17H2,1-2H3,(H,29,33)
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| InChIKey |
BIFFIEOCGJSJAA-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