General Information of the Compound
| Compound ID |
CP0371715
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| Compound Name |
3-(2-(4-(N-((2-amino-6-methylpyridin-3-yl)methyl)formamido)-1-hydroxypent-3-en-3-yl)disulfanyl)propanoic acid
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| Structure |
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| Formula |
C16H23N3O4S2
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| Molecular Weight |
385.511
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| Canonical SMILES |
C\C(N(Cc1ccc(C)nc1N)C=O)=C(/CCO)SSCCC(O)=O
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| InChI |
InChI=1S/C16H23N3O4S2/c1-11-3-4-13(16(17)18-11)9-19(10-21)12(2)14(5-7-20)25-24-8-6-15(22)23/h3-4,10,20H,5-9H2,1-2H3,(H2,17,18)(H,22,23)/b14-12-
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| InChIKey |
FRIIYLZPKQIWHY-OWBHPGMISA-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