General Information of the Compound
| Compound ID |
CP0423134
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| Compound Name |
(S)-2-(3-((S)-1-Carboxy-5-(3-chlorobenzylamino)pentyl)ureido)pentanedioic Acid
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| Structure |
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| Formula |
C19H26ClN3O7
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| Molecular Weight |
443.884
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| Canonical SMILES |
OC(=O)CC[C@H](NC(=O)N[C@@H](CCCCNCc1cccc(Cl)c1)C(O)=O)C(O)=O
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| InChI |
InChI=1S/C19H26ClN3O7/c20-13-5-3-4-12(10-13)11-21-9-2-1-6-14(17(26)27)22-19(30)23-15(18(28)29)7-8-16(24)25/h3-5,10,14-15,21H,1-2,6-9,11H2,(H,24,25)(H,26,27)(H,28,29)(H2,22,23,30)/t14-,15-/m0/s1
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| InChIKey |
HKCPAWLISGYKTE-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