General Information of the Compound
| Compound ID |
CP0164325
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| Compound Name |
2-[3-(1-Carboxy-2-mercapto-ethyl)-ureido]-pentanedioic acid
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| Structure |
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| Formula |
C9H14N2O7S
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| Molecular Weight |
294.285
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| Canonical SMILES |
OC(=O)CC[C@H](NC(=O)N[C@@H](CS)C(O)=O)C(O)=O
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| InChI |
InChI=1S/C9H14N2O7S/c12-6(13)2-1-4(7(14)15)10-9(18)11-5(3-19)8(16)17/h4-5,19H,1-3H2,(H,12,13)(H,14,15)(H,16,17)(H2,10,11,18)/t4-,5-/m0/s1
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| InChIKey |
YSSXJYWVWWFWMY-WHFBIAKZSA-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