General Information of the Compound
| Compound ID |
CP0528528
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| Compound Name |
1-(4-fluorophenyl)-1-[2-[[(2S)-1-methoxypropan-2-yl]amino]pyrimidin-4-yl]-3-[4-(trifluoromethyl)phenyl]urea
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| Structure |
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| Formula |
C22H21F4N5O2
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| Molecular Weight |
463.435
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| Canonical SMILES |
COC[C@H](C)Nc1nccc(n1)N(C(=O)Nc1ccc(cc1)C(F)(F)F)c1ccc(F)cc1
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| InChI |
InChI=1S/C22H21F4N5O2/c1-14(13-33-2)28-20-27-12-11-19(30-20)31(18-9-5-16(23)6-10-18)21(32)29-17-7-3-15(4-8-17)22(24,25)26/h3-12,14H,13H2,1-2H3,(H,29,32)(H,27,28,30)/t14-/m0/s1
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| InChIKey |
XCXLTPGCACJWPS-AWEZNQCLSA-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