General Information of the Compound
| Compound ID |
CP0501154
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| Compound Name |
(4-methoxyphenyl)-[4-[4-[(4-propan-2-ylsulfanylphenyl)methyl]piperidin-1-yl]piperidin-1-yl]methanone
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| Structure |
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| Formula |
C28H38N2O2S
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| Molecular Weight |
466.691
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| Canonical SMILES |
COc1ccc(cc1)C(=O)N1CCC(CC1)N1CCC(Cc2ccc(SC(C)C)cc2)CC1
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| InChI |
InChI=1S/C28H38N2O2S/c1-21(2)33-27-10-4-22(5-11-27)20-23-12-16-29(17-13-23)25-14-18-30(19-15-25)28(31)24-6-8-26(32-3)9-7-24/h4-11,21,23,25H,12-20H2,1-3H3
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| InChIKey |
BJDPZILVJAADHN-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