General Information of the Compound
| Compound ID |
CP0343513
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| Compound Name |
2-(4-chloro-3-fluorobenzyl)-3-(isopropylamino)-1-(4-((S)-5-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl)piperazin-1-yl)propan-1-one
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| Structure |
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| Formula |
C24H31ClFN5OS
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| Molecular Weight |
492.064
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| Canonical SMILES |
CC(C)NCC(Cc1ccc(Cl)c(F)c1)C(=O)N1CCN(CC1)c1ncnc2CS[C@@H](C)c12
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| InChI |
InChI=1S/C24H31ClFN5OS/c1-15(2)27-12-18(10-17-4-5-19(25)20(26)11-17)24(32)31-8-6-30(7-9-31)23-22-16(3)33-13-21(22)28-14-29-23/h4-5,11,14-16,18,27H,6-10,12-13H2,1-3H3/t16-,18?/m0/s1
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| InChIKey |
ZONXJTCZULSZOX-ATNAJCNCSA-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