General Information of the Compound
| Compound ID |
CP0481096
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| Compound Name |
tert-butyl 4-[[6-[4-[methoxy(methyl)carbamoyl]phenyl]pyridin-3-yl]oxymethyl]piperidine-1-carboxylate
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| Structure |
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| Formula |
C25H33N3O5
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| Molecular Weight |
455.555
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| Canonical SMILES |
CON(C)C(=O)c1ccc(cc1)-c1ccc(OCC2CCN(CC2)C(=O)OC(C)(C)C)cn1
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| InChI |
InChI=1S/C25H33N3O5/c1-25(2,3)33-24(30)28-14-12-18(13-15-28)17-32-21-10-11-22(26-16-21)19-6-8-20(9-7-19)23(29)27(4)31-5/h6-11,16,18H,12-15,17H2,1-5H3
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| InChIKey |
IOUSANBRNKFWLP-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