General Information of the Compound
| Compound ID |
CP0530664
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| Compound Name |
3-(2-chlorophenyl)-1-(3-fluorophenyl)-1-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]urea
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| Structure |
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| Formula |
C25H21ClFN5O
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| Molecular Weight |
461.928
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| Canonical SMILES |
C[C@H](Nc1nccc(n1)N(C(=O)Nc1ccccc1Cl)c1cccc(F)c1)c1ccccc1
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| InChI |
InChI=1S/C25H21ClFN5O/c1-17(18-8-3-2-4-9-18)29-24-28-15-14-23(31-24)32(20-11-7-10-19(27)16-20)25(33)30-22-13-6-5-12-21(22)26/h2-17H,1H3,(H,30,33)(H,28,29,31)/t17-/m0/s1
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| InChIKey |
HASYADKPJYMZDK-KRWDZBQOSA-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