General Information of the Compound
| Compound ID |
CP0458897
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| Compound Name |
3-(3-chloro-4-fluorophenyl)-1-(4-(pyrimidin-5-yl)cyclohex-3-enyl)-1-(2-(pyrrolidin-1-yl)ethyl)urea
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| Structure |
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| Formula |
C23H27ClFN5O
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| Molecular Weight |
443.954
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| Canonical SMILES |
Fc1ccc(NC(=O)N(CCN2CCCC2)C2CCC(=CC2)c2cncnc2)cc1Cl
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| InChI |
InChI=1S/C23H27ClFN5O/c24-21-13-19(5-8-22(21)25)28-23(31)30(12-11-29-9-1-2-10-29)20-6-3-17(4-7-20)18-14-26-16-27-15-18/h3,5,8,13-16,20H,1-2,4,6-7,9-12H2,(H,28,31)
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| InChIKey |
QTHAOPAVXYHZRO-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