General Information of the Compound
| Compound ID |
CP0375600
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| Compound Name |
(S)-2-(3-(Carboxy(4-hydroxy-3-methoxyphenyl)methyl)ureido)-4-methylpentanoic acid
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| Structure |
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| Formula |
C16H22N2O7
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| Molecular Weight |
354.359
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| Canonical SMILES |
COc1cc(ccc1O)C(NC(=O)N[C@@H](CC(C)C)C(O)=O)C(O)=O
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| InChI |
InChI=1S/C16H22N2O7/c1-8(2)6-10(14(20)21)17-16(24)18-13(15(22)23)9-4-5-11(19)12(7-9)25-3/h4-5,7-8,10,13,19H,6H2,1-3H3,(H,20,21)(H,22,23)(H2,17,18,24)/t10-,13?/m0/s1
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| InChIKey |
IJUQWEYSEMLXGP-NKUHCKNESA-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