General Information of the Compound
| Compound ID |
CP0446987
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| Compound Name |
(2S)-2-[[(1R)-1-carboxy-2-[1-[(5S)-5-carboxy-5-[[2-(methylamino)acetyl]amino]pentyl]-2,5-dioxopyrrolidin-3-yl]sulfanylethyl]carbamoylamino]pentanedioic acid
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| Structure |
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| Formula |
C22H33N5O12S
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| Molecular Weight |
591.596
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| Canonical SMILES |
CNCC(=O)N[C@@H](CCCCN1C(=O)CC(SC[C@H](NC(=O)N[C@@H](CCC(O)=O)C(O)=O)C(O)=O)C1=O)C(O)=O
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| InChI |
InChI=1S/C22H33N5O12S/c1-23-9-15(28)24-11(19(33)34)4-2-3-7-27-16(29)8-14(18(27)32)40-10-13(21(37)38)26-22(39)25-12(20(35)36)5-6-17(30)31/h11-14,23H,2-10H2,1H3,(H,24,28)(H,30,31)(H,33,34)(H,35,36)(H,37,38)(H2,25,26,39)/t11-,12-,13-,14?/m0/s1
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| InChIKey |
ASKNLGFEGCNSJO-AIOZOAKWSA-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