General Information of the Compound
| Compound ID |
CP0357388
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| Compound Name |
(E)-3-[4-(3-methylbut-2-enyl)-3-(3-phenylpropanoylamino)phenyl]prop-2-enoic acid
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| Structure |
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| Formula |
C23H25NO3
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| Molecular Weight |
363.457
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| Canonical SMILES |
CC(C)=CCc1ccc(\C=C\C(O)=O)cc1NC(=O)CCc1ccccc1
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| InChI |
InChI=1S/C23H25NO3/c1-17(2)8-12-20-13-9-19(11-15-23(26)27)16-21(20)24-22(25)14-10-18-6-4-3-5-7-18/h3-9,11,13,15-16H,10,12,14H2,1-2H3,(H,24,25)(H,26,27)/b15-11+
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| InChIKey |
SMYHHZFAWOLAAX-RVDMUPIBSA-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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