General Information of the Compound
| Compound ID |
CP0505806
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| Compound Name |
[4-[4-[(4-propan-2-ylsulfanylphenyl)methyl]piperidin-1-yl]piperidin-1-yl]-pyrazin-2-ylmethanone
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| Structure |
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| Formula |
C25H34N4OS
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| Molecular Weight |
438.641
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| Canonical SMILES |
CC(C)Sc1ccc(CC2CCN(CC2)C2CCN(CC2)C(=O)c2cnccn2)cc1
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| InChI |
InChI=1S/C25H34N4OS/c1-19(2)31-23-5-3-20(4-6-23)17-21-7-13-28(14-8-21)22-9-15-29(16-10-22)25(30)24-18-26-11-12-27-24/h3-6,11-12,18-19,21-22H,7-10,13-17H2,1-2H3
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| InChIKey |
ZFJZLXXHRCSZMT-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