General Information of the Compound
| Compound ID |
CP0352453
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| Compound Name |
4-[[4-pyrrolidin-1-yl-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide
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| Structure |
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| Formula |
C16H16F3N5O
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| Molecular Weight |
351.332
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| Canonical SMILES |
NC(=O)c1ccc(Nc2ncc(c(n2)N2CCCC2)C(F)(F)F)cc1
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| InChI |
InChI=1S/C16H16F3N5O/c17-16(18,19)12-9-21-15(23-14(12)24-7-1-2-8-24)22-11-5-3-10(4-6-11)13(20)25/h3-6,9H,1-2,7-8H2,(H2,20,25)(H,21,22,23)
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| InChIKey |
LPTLAGGCZBHKGC-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