General Information of the Compound
| Compound ID |
CP0499681
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| Compound Name |
ethyl 4-[[4-[N-[(2-chlorophenyl)carbamoyl]-4-fluoroanilino]pyrimidin-2-yl]amino]piperidine-1-carboxylate
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| Structure |
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| Formula |
C25H26ClFN6O3
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| Molecular Weight |
512.973
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| Canonical SMILES |
CCOC(=O)N1CCC(CC1)Nc1nccc(n1)N(C(=O)Nc1ccccc1Cl)c1ccc(F)cc1
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| InChI |
InChI=1S/C25H26ClFN6O3/c1-2-36-25(35)32-15-12-18(13-16-32)29-23-28-14-11-22(31-23)33(19-9-7-17(27)8-10-19)24(34)30-21-6-4-3-5-20(21)26/h3-11,14,18H,2,12-13,15-16H2,1H3,(H,30,34)(H,28,29,31)
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| InChIKey |
LYDKINSKQMJSNH-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