General Information of the Compound
| Compound ID |
CP0498634
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| Compound Name |
propan-2-yl 4-[[6-(4-cyclohexylsulfonylpiperazin-1-yl)pyridin-3-yl]oxymethyl]piperidine-1-carboxylate
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| Structure |
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| Formula |
C25H40N4O5S
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| Molecular Weight |
508.685
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| Canonical SMILES |
CC(C)OC(=O)N1CCC(COc2ccc(nc2)N2CCN(CC2)S(=O)(=O)C2CCCCC2)CC1
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| InChI |
InChI=1S/C25H40N4O5S/c1-20(2)34-25(30)28-12-10-21(11-13-28)19-33-22-8-9-24(26-18-22)27-14-16-29(17-15-27)35(31,32)23-6-4-3-5-7-23/h8-9,18,20-21,23H,3-7,10-17,19H2,1-2H3
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| InChIKey |
KSWQJRFAXXWGKR-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