General Information of the Compound
| Compound ID |
CP0065070
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| Compound Name |
(2S)-2-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]amino]-3-phenylpropanoic acid
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| Structure |
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| Formula |
C18H17NO4
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| Molecular Weight |
311.337
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| Canonical SMILES |
OC(=O)[C@H](Cc1ccccc1)NC(=O)\C=C\c1ccc(O)cc1
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| InChI |
InChI=1S/C18H17NO4/c20-15-9-6-13(7-10-15)8-11-17(21)19-16(18(22)23)12-14-4-2-1-3-5-14/h1-11,16,20H,12H2,(H,19,21)(H,22,23)/b11-8+/t16-/m0/s1
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| InChIKey |
ITAXNYBCAOSKLC-KXKDPZRNSA-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