General Information of the Compound
| Compound ID |
CP0496900
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| Compound Name |
3-(2-chlorophenyl)-1-(4-fluorophenyl)-1-(2-morpholin-4-ylpyrimidin-4-yl)urea
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| Structure |
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| Formula |
C21H19ClFN5O2
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| Molecular Weight |
427.867
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| Canonical SMILES |
Fc1ccc(cc1)N(C(=O)Nc1ccccc1Cl)c1ccnc(n1)N1CCOCC1
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| InChI |
InChI=1S/C21H19ClFN5O2/c22-17-3-1-2-4-18(17)25-21(29)28(16-7-5-15(23)6-8-16)19-9-10-24-20(26-19)27-11-13-30-14-12-27/h1-10H,11-14H2,(H,25,29)
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| InChIKey |
BNIZDDCBVSWRCT-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