General Information of the Compound
| Compound ID |
CP0430679
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| Compound Name |
propan-2-yl 4-[[6-(4-thiophen-2-ylsulfonylpiperazin-1-yl)pyridin-3-yl]oxymethyl]piperidine-1-carboxylate
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| Structure |
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| Formula |
C23H32N4O5S2
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| Molecular Weight |
508.666
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| Canonical SMILES |
CC(C)OC(=O)N1CCC(COc2ccc(nc2)N2CCN(CC2)S(=O)(=O)c2cccs2)CC1
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| InChI |
InChI=1S/C23H32N4O5S2/c1-18(2)32-23(28)26-9-7-19(8-10-26)17-31-20-5-6-21(24-16-20)25-11-13-27(14-12-25)34(29,30)22-4-3-15-33-22/h3-6,15-16,18-19H,7-14,17H2,1-2H3
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| InChIKey |
PGPIOPGNNVNHMM-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