General Information of the Compound
| Compound ID |
CP0423135
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| Compound Name |
(S)-2-(3-((S)-5-(Benzylamino)-1-carboxypentyl)ureido)pentanedioic Acid
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| Structure |
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| Formula |
C19H27N3O7
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| Molecular Weight |
409.439
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| Canonical SMILES |
OC(=O)CC[C@H](NC(=O)N[C@@H](CCCCNCc1ccccc1)C(O)=O)C(O)=O
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| InChI |
InChI=1S/C19H27N3O7/c23-16(24)10-9-15(18(27)28)22-19(29)21-14(17(25)26)8-4-5-11-20-12-13-6-2-1-3-7-13/h1-3,6-7,14-15,20H,4-5,8-12H2,(H,23,24)(H,25,26)(H,27,28)(H2,21,22,29)/t14-,15-/m0/s1
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| InChIKey |
DMTAKQVZLZCXBV-GJZGRUSLSA-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