General Information of the Compound
| Compound ID |
CP0424367
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| Compound Name |
3-(3-chloro-4-fluorophenyl)-1-(4-(5-methylthiophen-2-yl)cyclohex-3-enyl)-1-(2-(pyrrolidin-1-yl)ethyl)urea
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| Structure |
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| Formula |
C24H29ClFN3OS
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| Molecular Weight |
462.034
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| Canonical SMILES |
Cc1ccc(s1)C1=CCC(CC1)N(CCN1CCCC1)C(=O)Nc1ccc(F)c(Cl)c1
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| InChI |
InChI=1S/C24H29ClFN3OS/c1-17-4-11-23(31-17)18-5-8-20(9-6-18)29(15-14-28-12-2-3-13-28)24(30)27-19-7-10-22(26)21(25)16-19/h4-5,7,10-11,16,20H,2-3,6,8-9,12-15H2,1H3,(H,27,30)
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| InChIKey |
BWGKUHVGLLNUIX-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