General Information of the Compound
| Compound ID |
CP0905289
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| Compound Name |
benzyl 3-(3-(3,4-difluorobenzyl)-2-oxotetrahydropyrimidin-1(2H)-yl)phenylcarbamate
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| Structure |
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| Formula |
C25H23F2N3O3
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| Molecular Weight |
451.473
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| Canonical SMILES |
O=C(Nc1cccc(N2CCCN(Cc3ccc(F)c(F)c3)C2=O)c1)OCc1ccccc1
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| InChI |
InChI=1S/C25H23F2N3O3/c26-22-11-10-19(14-23(22)27)16-29-12-5-13-30(25(29)32)21-9-4-8-20(15-21)28-24(31)33-17-18-6-2-1-3-7-18/h1-4,6-11,14-15H,5,12-13,16-17H2,(H,28,31)
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| InChIKey |
RRMOZVLBZWVIND-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