General Information of the Compound
| Compound ID |
CP0402282
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| Compound Name |
methyl 1-[2-(4-hydroxyphenyl)ethyl]-4-(N-propanoylanilino)piperidine-4-carboxylate
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| Structure |
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| Formula |
C24H30N2O4
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| Molecular Weight |
410.514
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| Canonical SMILES |
CCC(=O)N(c1ccccc1)C1(CCN(CCc2ccc(O)cc2)CC1)C(=O)OC
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| InChI |
InChI=1S/C24H30N2O4/c1-3-22(28)26(20-7-5-4-6-8-20)24(23(29)30-2)14-17-25(18-15-24)16-13-19-9-11-21(27)12-10-19/h4-12,27H,3,13-18H2,1-2H3
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| InChIKey |
UFQKEDUATOWSAR-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