General Information of the Compound
| Compound ID |
CP0400302
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| Compound Name |
propan-2-yl 4-[[6-[4-(diethylsulfamoyl)piperazin-1-yl]pyridin-3-yl]oxymethyl]piperidine-1-carboxylate
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| Structure |
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| Formula |
C23H39N5O5S
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| Molecular Weight |
497.662
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| Canonical SMILES |
CCN(CC)S(=O)(=O)N1CCN(CC1)c1ccc(OCC2CCN(CC2)C(=O)OC(C)C)cn1
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| InChI |
InChI=1S/C23H39N5O5S/c1-5-27(6-2)34(30,31)28-15-13-25(14-16-28)22-8-7-21(17-24-22)32-18-20-9-11-26(12-10-20)23(29)33-19(3)4/h7-8,17,19-20H,5-6,9-16,18H2,1-4H3
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| InChIKey |
NCHIILHELXBAPW-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