General Information of the Compound
| Compound ID |
CP0502211
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| Compound Name |
(S)-2-(3-((S)-1-Carboxy-5-(3-phenylureido)pentyl)ureido)pentanedioic Acid
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| Structure |
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| Formula |
C19H26N4O8
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| Molecular Weight |
438.437
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| Canonical SMILES |
OC(=O)CC[C@H](NC(=O)N[C@@H](CCCCNC(=O)Nc1ccccc1)C(O)=O)C(O)=O
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| InChI |
InChI=1S/C19H26N4O8/c24-15(25)10-9-14(17(28)29)23-19(31)22-13(16(26)27)8-4-5-11-20-18(30)21-12-6-2-1-3-7-12/h1-3,6-7,13-14H,4-5,8-11H2,(H,24,25)(H,26,27)(H,28,29)(H2,20,21,30)(H2,22,23,31)/t13-,14-/m0/s1
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| InChIKey |
YHGIYVVZAPBHCX-KBPBESRZSA-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