General Information of the Compound
| Compound ID |
CP0435919
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| Compound Name |
2-[(2-chlorophenyl)methyl]-N-cyclopropyl-3-(2-fluorospiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl)-N-methylpropanamide
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| Structure |
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| Formula |
C25H30ClFN2O2S
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| Molecular Weight |
477.045
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| Canonical SMILES |
CN(C1CC1)C(=O)C(CN1CCC2(CC1)OCCc1cc(F)sc21)Cc1ccccc1Cl
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| InChI |
InChI=1S/C25H30ClFN2O2S/c1-28(20-6-7-20)24(30)19(14-17-4-2-3-5-21(17)26)16-29-11-9-25(10-12-29)23-18(8-13-31-25)15-22(27)32-23/h2-5,15,19-20H,6-14,16H2,1H3
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| InChIKey |
LHMCMEBSYXPUMT-UHFFFAOYSA-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