General Information of the Compound
| Compound ID |
CP0408060
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| Compound Name |
2-(4-chlorobenzyl)-1-(4-((S)-5-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl)piperazin-1-yl)-3-(pyrrolidin-1-yl)propan-1-one
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| Structure |
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| Formula |
C25H32ClN5OS
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| Molecular Weight |
486.085
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| Canonical SMILES |
C[C@@H]1SCc2ncnc(N3CCN(CC3)C(=O)C(CN3CCCC3)Cc3ccc(Cl)cc3)c12
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| InChI |
InChI=1S/C25H32ClN5OS/c1-18-23-22(16-33-18)27-17-28-24(23)30-10-12-31(13-11-30)25(32)20(15-29-8-2-3-9-29)14-19-4-6-21(26)7-5-19/h4-7,17-18,20H,2-3,8-16H2,1H3/t18-,20?/m0/s1
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| InChIKey |
GNCYYLVUGXSYJS-LROBGIAVSA-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