General Information of the Compound
| Compound ID |
CP0291160
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| Compound Name |
3-(3-Carbamoyl-phenyl)-acrylic acid 2-hydroxy-ethyl ester
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| Structure |
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| Formula |
C12H13NO4
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| Molecular Weight |
235.239
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| Canonical SMILES |
NC(=O)c1cccc(\C=C\C(=O)OCCO)c1
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| InChI |
InChI=1S/C12H13NO4/c13-12(16)10-3-1-2-9(8-10)4-5-11(15)17-7-6-14/h1-5,8,14H,6-7H2,(H2,13,16)/b5-4+
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| InChIKey |
PKRNSRQUWAACBR-SNAWJCMRSA-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