General Information of the Compound
| Compound ID |
CP0499669
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| Compound Name |
3-(2-chlorophenyl)-1-(4-fluorophenyl)-1-[2-(oxan-4-ylamino)pyrimidin-4-yl]urea
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| Structure |
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| Formula |
C22H21ClFN5O2
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| Molecular Weight |
441.894
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| Canonical SMILES |
Fc1ccc(cc1)N(C(=O)Nc1ccccc1Cl)c1ccnc(NC2CCOCC2)n1
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| InChI |
InChI=1S/C22H21ClFN5O2/c23-18-3-1-2-4-19(18)27-22(30)29(17-7-5-15(24)6-8-17)20-9-12-25-21(28-20)26-16-10-13-31-14-11-16/h1-9,12,16H,10-11,13-14H2,(H,27,30)(H,25,26,28)
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| InChIKey |
XKEDZOVPVFTUBR-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