General Information of the Compound
| Compound ID |
CP0502971
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| Compound Name |
1-(4-fluorophenyl)-1-[2-[[(2S)-1-methoxypropan-2-yl]amino]pyrimidin-4-yl]-3-(2-methylphenyl)urea
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| Structure |
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| Formula |
C22H24FN5O2
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| Molecular Weight |
409.465
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| Canonical SMILES |
COC[C@H](C)Nc1nccc(n1)N(C(=O)Nc1ccccc1C)c1ccc(F)cc1
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| InChI |
InChI=1S/C22H24FN5O2/c1-15-6-4-5-7-19(15)26-22(29)28(18-10-8-17(23)9-11-18)20-12-13-24-21(27-20)25-16(2)14-30-3/h4-13,16H,14H2,1-3H3,(H,26,29)(H,24,25,27)/t16-/m0/s1
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| InChIKey |
TXNQVNJLHSCOLW-INIZCTEOSA-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