General Information of the Compound
| Compound ID |
CP0574203
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| Compound Name |
(2S)-2-[[(1R)-1-carboxy-2-(1-methyl-2,5-dioxopyrrolidin-3-yl)sulfanylethyl]carbamoylamino]pentanedioic acid
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| Structure |
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| Formula |
C14H19N3O9S
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| Molecular Weight |
405.385
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| Canonical SMILES |
CN1C(=O)CC(SC[C@H](NC(=O)N[C@@H](CCC(O)=O)C(O)=O)C(O)=O)C1=O
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| InChI |
InChI=1S/C14H19N3O9S/c1-17-9(18)4-8(11(17)21)27-5-7(13(24)25)16-14(26)15-6(12(22)23)2-3-10(19)20/h6-8H,2-5H2,1H3,(H,19,20)(H,22,23)(H,24,25)(H2,15,16,26)/t6-,7-,8?/m0/s1
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| InChIKey |
IKWHALXEHZWPEC-WPZUCAASSA-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