General Information of the Compound
| Compound ID |
CP0498947
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| Compound Name |
4-{5-[(2-Phenyl-5-trifluoromethyloxazole-4-carbonyl)amino]-pyrimidin-2-yl}piperazine-1-carboxylic Acid Methyl Ester
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| Structure |
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| Formula |
C21H19F3N6O4
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| Molecular Weight |
476.415
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| Canonical SMILES |
COC(=O)N1CCN(CC1)c1ncc(NC(=O)c2nc(oc2C(F)(F)F)-c2ccccc2)cn1
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| InChI |
InChI=1S/C21H19F3N6O4/c1-33-20(32)30-9-7-29(8-10-30)19-25-11-14(12-26-19)27-17(31)15-16(21(22,23)24)34-18(28-15)13-5-3-2-4-6-13/h2-6,11-12H,7-10H2,1H3,(H,27,31)
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| InChIKey |
DLCZOOQVYHOLGV-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