General Information of the Compound
| Compound ID |
CP0444418
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| Compound Name |
(2R)-5-(diaminomethylideneamino)-2-[[5-[3-(hydroxymethyl)phenyl]furan-2-carbonyl]amino]pentanoic acid
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| Structure |
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| Formula |
C18H22N4O5
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| Molecular Weight |
374.397
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| Canonical SMILES |
NC(N)=NCCC[C@@H](NC(=O)c1ccc(o1)-c1cccc(CO)c1)C(O)=O
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| InChI |
InChI=1S/C18H22N4O5/c19-18(20)21-8-2-5-13(17(25)26)22-16(24)15-7-6-14(27-15)12-4-1-3-11(9-12)10-23/h1,3-4,6-7,9,13,23H,2,5,8,10H2,(H,22,24)(H,25,26)(H4,19,20,21)/t13-/m1/s1
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| InChIKey |
PSZBFXBOTCEAMC-CYBMUJFWSA-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