General Information of the Compound
| Compound ID |
CP0364844
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| Compound Name |
4-[3-Carbamoyl-5-(2-ethoxycarbonyl-vinyl)-benzyl]-piperazine-1-carboxylic acid ethyl ester
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| Structure |
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| Formula |
C20H27N3O5
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| Molecular Weight |
389.452
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| Canonical SMILES |
CCOC(=O)\C=C\c1cc(CN2CCN(CC2)C(=O)OCC)cc(c1)C(N)=O
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| InChI |
InChI=1S/C20H27N3O5/c1-3-27-18(24)6-5-15-11-16(13-17(12-15)19(21)25)14-22-7-9-23(10-8-22)20(26)28-4-2/h5-6,11-13H,3-4,7-10,14H2,1-2H3,(H2,21,25)/b6-5+
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| InChIKey |
RTPMZYGAJLJOTP-AATRIKPKSA-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