General Information of the Compound
| Compound ID |
CP0408061
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| Compound Name |
3-(1-aminocyclopropyl)-2-(4-chloro-3-fluorobenzyl)-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 |
C24H29ClFN5OS
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| Molecular Weight |
490.048
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| Canonical SMILES |
C[C@@H]1SCc2ncnc(N3CCN(CC3)C(=O)C(Cc3ccc(Cl)c(F)c3)CC3(N)CC3)c12
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| InChI |
InChI=1S/C24H29ClFN5OS/c1-15-21-20(13-33-15)28-14-29-22(21)30-6-8-31(9-7-30)23(32)17(12-24(27)4-5-24)10-16-2-3-18(25)19(26)11-16/h2-3,11,14-15,17H,4-10,12-13,27H2,1H3/t15-,17?/m0/s1
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| InChIKey |
WDUQEQSHKQERBV-MYJWUSKBSA-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