General Information of the Compound
| Compound ID |
CP0445740
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| Compound Name |
3-(3-chloro-4-fluorophenyl)-1-(4-(5-cyanothiophen-2-yl)cyclohex-3-enyl)-1-(2-(pyrrolidin-1-yl)ethyl)urea
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| Structure |
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| Formula |
C24H26ClFN4OS
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| Molecular Weight |
473.017
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| Canonical SMILES |
Fc1ccc(NC(=O)N(CCN2CCCC2)C2CCC(=CC2)c2ccc(s2)C#N)cc1Cl
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| InChI |
InChI=1S/C24H26ClFN4OS/c25-21-15-18(5-9-22(21)26)28-24(31)30(14-13-29-11-1-2-12-29)19-6-3-17(4-7-19)23-10-8-20(16-27)32-23/h3,5,8-10,15,19H,1-2,4,6-7,11-14H2,(H,28,31)
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| InChIKey |
OKAMPOAKKCFXPX-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