General Information of the Compound
| Compound ID |
CP0330066
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| Compound Name |
(2S)-3-phenyl-2-[[(E)-3-phenylprop-2-enoyl]amino]propanoic acid
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| Structure |
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| Formula |
C18H17NO3
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| Molecular Weight |
295.338
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| Canonical SMILES |
OC(=O)[C@H](Cc1ccccc1)NC(=O)\C=C\c1ccccc1
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| InChI |
InChI=1S/C18H17NO3/c20-17(12-11-14-7-3-1-4-8-14)19-16(18(21)22)13-15-9-5-2-6-10-15/h1-12,16H,13H2,(H,19,20)(H,21,22)/b12-11+/t16-/m0/s1
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| InChIKey |
YFHVCODMDZNZEA-PCUGXKRQSA-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