General Information of the Compound
| Compound ID |
CP0458893
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| Compound Name |
3-(3-chloro-4-fluorophenyl)-1-(4-(2-cyanothiazol-5-yl)cyclohex-3-enyl)-1-(2-(pyrrolidin-1-yl)ethyl)urea
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| Structure |
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| Formula |
C23H25ClFN5OS
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| Molecular Weight |
474.005
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| Canonical SMILES |
Fc1ccc(NC(=O)N(CCN2CCCC2)C2CCC(=CC2)c2cnc(s2)C#N)cc1Cl
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| InChI |
InChI=1S/C23H25ClFN5OS/c24-19-13-17(5-8-20(19)25)28-23(31)30(12-11-29-9-1-2-10-29)18-6-3-16(4-7-18)21-15-27-22(14-26)32-21/h3,5,8,13,15,18H,1-2,4,6-7,9-12H2,(H,28,31)
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| InChIKey |
JRLCWYOCLPIHDA-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