General Information of the Compound
| Compound ID |
CP0430680
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| Compound Name |
propan-2-yl 4-[6-(4-ethylsulfonylpiperazin-1-yl)pyridin-3-yl]oxypiperidine-1-carboxylate
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| Structure |
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| Formula |
C20H32N4O5S
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| Molecular Weight |
440.566
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| Canonical SMILES |
CCS(=O)(=O)N1CCN(CC1)c1ccc(OC2CCN(CC2)C(=O)OC(C)C)cn1
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| InChI |
InChI=1S/C20H32N4O5S/c1-4-30(26,27)24-13-11-22(12-14-24)19-6-5-18(15-21-19)29-17-7-9-23(10-8-17)20(25)28-16(2)3/h5-6,15-17H,4,7-14H2,1-3H3
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| InChIKey |
MSBKDDLMQUUQDX-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