General Information of the Compound
| Compound ID |
CP0547564
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| Compound Name |
(2S)-2-[[(1R)-1-carboxy-3-methylbutyl]carbamoylamino]pentanedioic acid
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| Structure |
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| Formula |
C12H20N2O7
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| Molecular Weight |
304.299
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| Canonical SMILES |
CC(C)C[C@@H](NC(=O)N[C@@H](CCC(O)=O)C(O)=O)C(O)=O
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| InChI |
InChI=1S/C12H20N2O7/c1-6(2)5-8(11(19)20)14-12(21)13-7(10(17)18)3-4-9(15)16/h6-8H,3-5H2,1-2H3,(H,15,16)(H,17,18)(H,19,20)(H2,13,14,21)/t7-,8+/m0/s1
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| InChIKey |
BSGWCSGMXAVYRT-JGVFFNPUSA-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