General Information of the Compound
| Compound ID |
CP0510268
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| Compound Name |
3-(2-chlorophenyl)-1-[2-[[(2S)-3-hydroxy-3-methylbutan-2-yl]amino]pyrimidin-4-yl]-1-phenylurea
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| Structure |
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| Formula |
C22H24ClN5O2
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| Molecular Weight |
425.92
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| Canonical SMILES |
C[C@H](Nc1nccc(n1)N(C(=O)Nc1ccccc1Cl)c1ccccc1)C(C)(C)O
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| InChI |
InChI=1S/C22H24ClN5O2/c1-15(22(2,3)30)25-20-24-14-13-19(27-20)28(16-9-5-4-6-10-16)21(29)26-18-12-8-7-11-17(18)23/h4-15,30H,1-3H3,(H,26,29)(H,24,25,27)/t15-/m0/s1
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| InChIKey |
XOXUDPAQRNBSPE-HNNXBMFYSA-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