General Information of the Compound
| Compound ID |
CP0080428
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| Compound Name |
2-(1-aminocyclopropyl)-3-(4-chlorophenyl)-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 |
C23H28ClN5OS
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| Molecular Weight |
458.031
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| Canonical SMILES |
C[C@@H]1SCc2ncnc(N3CCN(CC3)C(=O)C(Cc3ccc(Cl)cc3)C3(N)CC3)c12
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| InChI |
InChI=1S/C23H28ClN5OS/c1-15-20-19(13-31-15)26-14-27-21(20)28-8-10-29(11-9-28)22(30)18(23(25)6-7-23)12-16-2-4-17(24)5-3-16/h2-5,14-15,18H,6-13,25H2,1H3/t15-,18?/m0/s1
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| InChIKey |
RRVNJKCGFWBUAU-BUSXIPJBSA-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