General Information of the Compound
| Compound ID |
CP0506167
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| Compound Name |
propan-2-yl 4-[[6-(4-piperidin-1-ylsulfonylpiperazin-1-yl)pyridin-3-yl]oxymethyl]piperidine-1-carboxylate
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| Structure |
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| Formula |
C24H39N5O5S
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| Molecular Weight |
509.673
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| Canonical SMILES |
CC(C)OC(=O)N1CCC(COc2ccc(nc2)N2CCN(CC2)S(=O)(=O)N2CCCCC2)CC1
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| InChI |
InChI=1S/C24H39N5O5S/c1-20(2)34-24(30)27-12-8-21(9-13-27)19-33-22-6-7-23(25-18-22)26-14-16-29(17-15-26)35(31,32)28-10-4-3-5-11-28/h6-7,18,20-21H,3-5,8-17,19H2,1-2H3
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| InChIKey |
AOLJFWZJDVEKRK-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