General Information of the Compound
| Compound ID |
CP0276425
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| Compound Name |
3-(isopropylamino)-1-(4-((S)-5-methyl-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl)piperazin-1-yl)-2-(4-methylbenzyl)propan-1-one
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| Structure |
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| Formula |
C25H35N5O2
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| Molecular Weight |
437.588
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| Canonical SMILES |
CC(C)NCC(Cc1ccc(C)cc1)C(=O)N1CCN(CC1)c1ncnc2CO[C@@H](C)c12
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| InChI |
InChI=1S/C25H35N5O2/c1-17(2)26-14-21(13-20-7-5-18(3)6-8-20)25(31)30-11-9-29(10-12-30)24-23-19(4)32-15-22(23)27-16-28-24/h5-8,16-17,19,21,26H,9-15H2,1-4H3/t19-,21?/m0/s1
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| InChIKey |
WKFVBJAKYYNAAM-ZQRQZVKFSA-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